N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide

C34H64N4O9 — CID 123464565

IUPACN'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide
SMILESCC[C@H](C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(=O)NCCCC[C@@H](C)CC(C)=O
InChIInChI=1S/C34H64N4O9/c1-5-28(2)11-6-8-16-36-33(42)26-46-23-22-45-20-18-38-34(43)27-47-24-21-44-19-17-37-32(41)14-10-13-31(40)35-15-9-7-12-29(3)25-30(4)39/h28-29H,5-27H2,1-4H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t28-,29+/m0/s1
InChIKeyIIHCRKVVTGXAMW-URLMMPGGSA-N
MW672.90 g/mol
LogP2.69
Rot. Bonds33

About N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide

N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide (PubChem CID 123464565) has the molecular formula C34H64N4O9 and a molecular weight of 672.90 g/mol. Its IUPAC name is N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide.

Molecular Properties

Compound NameN'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide
PubChem CID123464565
Molecular FormulaC34H64N4O9
Molecular Weight672.90 g/mol
Exact Mass672.47
IUPAC NameN'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide
SMILESCC[C@H](C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(=O)NCCCC[C@@H](C)CC(C)=O
InChIInChI=1S/C34H64N4O9/c1-5-28(2)11-6-8-16-36-33(42)26-46-23-22-45-20-18-38-34(43)27-47-24-21-44-19-17-37-32(41)14-10-13-31(40)35-15-9-7-12-29(3)25-30(4)39/h28-29H,5-27H2,1-4H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t28-,29+/m0/s1
InChIKeyIIHCRKVVTGXAMW-URLMMPGGSA-N
XLogP2.69
TPSA170.39 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds33
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500672.90
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]butanamide
CID 163400778
N-butyl-2-[2-[2-(4-methylhexoxy)ethoxy]ethoxy]acetamide;molecular hydrogen;sulfane
CID 171540633
5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130440881
4-[[2-[2-(2-acetamidoethoxy)ethoxy]acetyl]amino]-N-butylbutanamide
CID 123251408
N-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylnon-8-enyl]amino]prop-2-enoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]tetracos-23-enamide
CID 167120593
3-methyl-N-[2-[2-[2-[3-(4-methylpentylamino)-3-oxopropoxy]ethoxy]ethoxy]ethyl]pentanamide
CID 168959082
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]heptanamide
CID 89417865
N-[2-[2-[2-[2-[2-[2-(butylamino)-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]butanamide
CID 89176712
2-methyl-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-(2-oxopropoxy)ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 130331562
N-[2-[2-(6-methylheptylamino)-2-oxoethoxy]ethyl]-4-(propan-2-ylamino)butanamide
CID 170416222
2-(methylamino)-5-oxo-5-[2-[2-[2-oxo-2-[2-[2-[2-oxo-2-(pentylamino)ethoxy]ethoxy]ethylamino]ethoxy]ethoxy]ethylamino]pentanoic acid
CID 145263476
N-[(5S)-5-methyl-6-oxoheptyl]-2-[2-[2-[[2-[2-(4-oxononoxy)ethoxy]acetyl]amino]ethoxy]ethoxy]acetamide
CID 157081898

Frequently Asked Questions

What is the IUPAC name of N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide?
The IUPAC name of N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide (CID 123464565) is N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide.
What is the SMILES notation for N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide?
The canonical SMILES for N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide is CC[C@H](C)CCCCNC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CCCC(=O)NCCCC[C@@H](C)CC(C)=O.
What is the InChIKey of N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide?
The InChIKey is IIHCRKVVTGXAMW-URLMMPGGSA-N. The full InChI is InChI=1S/C34H64N4O9/c1-5-28(2)11-6-8-16-36-33(42)26-46-23-22-45-20-18-38-34(43)27-47-24-21-44-19-17-37-32(41)14-10-13-31(40)35-15-9-7-12-29(3)25-30(4)39/h28-29H,5-27H2,1-4H3,(H,35,40)(H,36,42)(H,37,41)(H,38,43)/t28-,29+/m0/s1.
What are the key properties of N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide?
N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide has a molecular weight of 672.90 g/mol, XLogP of 2.69, 33 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[2-[2-[2-[2-[2-[[(5S)-5-methylheptyl]amino]-2-oxoethoxy]ethoxy]ethylamino]-2-oxoethoxy]ethoxy]ethyl]-N-[(5R)-5-methyl-7-oxooctyl]pentanediamide is sourced from PubChem (CID 123464565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).