2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate

C41H81N8O16P3 — CID 159760147

IUPAC2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
SMILESCNCP(=O)(OCC1CN(C(=O)CCCC(C)=O)CC(C)O1)N1CC(C)OC(COP(=O)(N(C)C)N2CC(C)OC(COP(=O)(N(C)C)N3CCN(C(=O)OCCOCCOCCO)CC3)C2)C1
InChIInChI=1S/C41H81N8O16P3/c1-33(51)11-10-12-40(52)46-23-34(2)63-37(26-46)29-60-66(54,32-42-5)48-24-35(3)64-38(27-48)30-62-68(56,44(8)9)49-25-36(4)65-39(28-49)31-61-67(55,43(6)7)47-15-13-45(14-16-47)41(53)59-22-21-58-20-19-57-18-17-50/h34-39,42,50H,10-32H2,1-9H3
InChIKeyIMLIQDYKSSWBDJ-UHFFFAOYSA-N
MW1035.06 g/mol
LogP2.08
Rot. Bonds28

About 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate (PubChem CID 159760147) has the molecular formula C41H81N8O16P3 and a molecular weight of 1035.06 g/mol. Its IUPAC name is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate.

Molecular Properties

Compound Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
PubChem CID159760147
Molecular FormulaC41H81N8O16P3
Molecular Weight1035.06 g/mol
Exact Mass1034.50
IUPAC Name2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
SMILESCNCP(=O)(OCC1CN(C(=O)CCCC(C)=O)CC(C)O1)N1CC(C)OC(COP(=O)(N(C)C)N2CC(C)OC(COP(=O)(N(C)C)N3CCN(C(=O)OCCOCCOCCO)CC3)C2)C1
InChIInChI=1S/C41H81N8O16P3/c1-33(51)11-10-12-40(52)46-23-34(2)63-37(26-46)29-60-66(54,32-42-5)48-24-35(3)64-38(27-48)30-62-68(56,44(8)9)49-25-36(4)65-39(28-49)31-61-67(55,43(6)7)47-15-13-45(14-16-47)41(53)59-22-21-58-20-19-57-18-17-50/h34-39,42,50H,10-32H2,1-9H3
InChIKeyIMLIQDYKSSWBDJ-UHFFFAOYSA-N
XLogP2.08
TPSA240.43 Ų
H-Bond Donors2
H-Bond Acceptors17
Rotatable Bonds28
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001035.06
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate with MolForge

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Related Compounds

2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 149418489
ethane;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S)-4,6-dimethylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 155701015
2-hydroxyethyl 4-[[4-[[4-[[4-[10-[[5-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]-2-[3-(diaminomethylideneamino)propyl]-4-oxopentanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 159827648
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 159472683
azane;bis(diiodovanadium);2-[8-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-4-(methylamino)-5,8-dioxooctyl]guanidine;2-hydroxyethyl 4-[[4-[[4-[[4-[2-[[5-(diaminomethylideneamino)-2-ethylpentanoyl]amino]acetyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane
CID 159917041
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[(2S,6S)-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate
CID 146341310
12-carbamimidamido-9-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-5-[[5-carbamimidamido-2-[[8-carbamimidamido-2-[(4-hydroxyphenyl)methyl]-5-(methylamino)-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]pentanoyl]amino]-2-[(4-hydroxyphenyl)methyl]-4-oxooctanoyl]amino]-N-[3-[4-[dimethylamino-[[4-[dimethylamino-[[4-[(4,6-dimethylmorpholin-2-yl)methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazin-1-yl]-3-oxopropyl]-8-oxododecanamide;diiodovanadium;2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[4-[[4-[[4-[10-[[5-[[8-[[8-[[8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2,5-bis(3-carbamimidamidopropyl)-9-(4-hydroxyphenyl)-4,7-dioxononanoyl]amino]-2-(3-carbamimidamidopropyl)-6-(4-hydroxyphenyl)-4-oxohexanoyl]amino]-5-oxodecanoyl]-6-methylmorpholin-2-yl]methoxy-(methylaminomethyl)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate;methane;hydroiodide
CID 164948921
CID 176761143
CID 176761143
N-[8-[4-[[4-[[4-[(4-acetyl-6-methylmorpholin-2-yl)methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazin-1-yl]-1-(diaminomethylideneamino)-5,8-dioxooctan-4-yl]acetamide
CID 164962104
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[[(2S,6S)-4-[2-[[(2R,5S)-5-[[(2R,5R)-5-[[(2R,5S)-5-acetamido-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]octanoyl]amino]-8-(diaminomethylideneamino)-2-[3-(diaminomethylideneamino)propyl]-4-oxooctanoyl]amino]acetyl]-6-methyloxan-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]-6-methylmorpholin-2-yl]methoxy-(dimethylamino)phosphoryl]piperazine-1-carboxylate
CID 160958024
5-benzyl-N-[5-benzyl-8-[[5-benzyl-6-[[1-carbamimidamido-5,12-dioxo-12-(3-oxobutylamino)dodecan-4-yl]amino]-3,6-dioxo-1-phenylhexan-2-yl]carbamoyl]-11-carbamimidamido-3,6-dioxo-1-phenylundecan-2-yl]-8-[(5-carbamimidamido-2-ethylpentanoyl)amino]-2-(3-carbamimidamidopropyl)-4,7-dioxo-9-phenylnonanamide;1-[[2-[[dimethylamino-[2-[[dimethylamino-(4-methylpiperazin-1-yl)phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]phosphoryl]oxymethyl]-6-methylmorpholin-4-yl]-[(4,6-dimethylmorpholin-2-yl)methoxy]phosphoryl]-N-methylmethanamine
CID 158026822
2-hydroxyethyl 2-(hydroxymethyl)-6-methylmorpholine-4-carboxylate
CID 102938985

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
The IUPAC name of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate (CID 159760147) is 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate.
What is the SMILES notation for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
The canonical SMILES for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate is CNCP(=O)(OCC1CN(C(=O)CCCC(C)=O)CC(C)O1)N1CC(C)OC(COP(=O)(N(C)C)N2CC(C)OC(COP(=O)(N(C)C)N3CCN(C(=O)OCCOCCOCCO)CC3)C2)C1.
What is the InChIKey of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
The InChIKey is IMLIQDYKSSWBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H81N8O16P3/c1-33(51)11-10-12-40(52)46-23-34(2)63-37(26-46)29-60-66(54,32-42-5)48-24-35(3)64-38(27-48)30-62-68(56,44(8)9)49-25-36(4)65-39(28-49)31-61-67(55,43(6)7)47-15-13-45(14-16-47)41(53)59-22-21-58-20-19-57-18-17-50/h34-39,42,50H,10-32H2,1-9H3.
What are the key properties of 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate?
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate has a molecular weight of 1035.06 g/mol, XLogP of 2.08, 28 rotatable bonds, 2 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-hydroxyethoxy)ethoxy]ethyl 4-[dimethylamino-[[4-[dimethylamino-[[6-methyl-4-[methylaminomethyl-[[6-methyl-4-(5-oxohexanoyl)morpholin-2-yl]methoxy]phosphoryl]morpholin-2-yl]methoxy]phosphoryl]-6-methylmorpholin-2-yl]methoxy]phosphoryl]piperazine-1-carboxylate is sourced from PubChem (CID 159760147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).