2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one

C34H52N2O7 — CID 141225663

IUPAC2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCOCCN(CCOC)C(C)(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)N(CCOC)CCOC)cc2)cc1
InChIInChI=1S/C34H52N2O7/c1-33(2,35(17-21-39-5)18-22-40-6)31(37)29-13-9-27(10-14-29)25-43-26-28-11-15-30(16-12-28)32(38)34(3,4)36(19-23-41-7)20-24-42-8/h9-16H,17-26H2,1-8H3
InChIKeyKQVOKEVULAKDFX-UHFFFAOYSA-N
MW600.80 g/mol
LogP4.52
Rot. Bonds22

About 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one

2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one (PubChem CID 141225663) has the molecular formula C34H52N2O7 and a molecular weight of 600.80 g/mol. Its IUPAC name is 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one.

Molecular Properties

Compound Name2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
PubChem CID141225663
Molecular FormulaC34H52N2O7
Molecular Weight600.80 g/mol
Exact Mass600.38
IUPAC Name2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
SMILESCOCCN(CCOC)C(C)(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)N(CCOC)CCOC)cc2)cc1
InChIInChI=1S/C34H52N2O7/c1-33(2,35(17-21-39-5)18-22-40-6)31(37)29-13-9-27(10-14-29)25-43-26-28-11-15-30(16-12-28)32(38)34(3,4)36(19-23-41-7)20-24-42-8/h9-16H,17-26H2,1-8H3
InChIKeyKQVOKEVULAKDFX-UHFFFAOYSA-N
XLogP4.52
TPSA86.77 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds22
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.80
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-(dibutylamino)-1-[4-[[4-[2-(dibutylamino)-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 141225671
2-[bis(2-methoxyethyl)amino]-2-methyl-1-(4-methylsulfinylphenyl)propan-1-one
CID 67924003
2-hydroxy-1-[4-[[4-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxymethyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one
CID 68738644
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379
2-hydroxy-1-[4-[10-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]decoxymethyl]phenyl]-2-methylpropan-1-one
CID 91546266
2-hydroxy-1-[4-[12-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]dodecoxymethyl]phenyl]-2-methylpropan-1-one
CID 68739413
2-hydroxy-1-[4-[6-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]hexoxymethyl]phenyl]-2-methylpropan-1-one
CID 91446599
2,2,2-trifluoro-1-[4-(methoxymethoxymethyl)phenyl]ethanone
CID 14709558
1-[4-[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenoxy]phenyl]-2-methyl-2-morpholin-4-ylpropan-1-one
CID 19866835
2-[bis(2-methoxyethyl)amino]-1-(2,3-dihydro-1-benzothiophen-5-yl)-2-methylpropan-1-one
CID 23325591
2-(dibutylamino)-1-(4-methoxyphenyl)-2-methylpropan-1-one
CID 19879504
4-(3,3-dimethylbutoxymethyl)benzoic acid
CID 66232430

Frequently Asked Questions

What is the IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The IUPAC name of 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one (CID 141225663) is 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one.
What is the SMILES notation for 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The canonical SMILES for 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one is COCCN(CCOC)C(C)(C)C(=O)c1ccc(COCc2ccc(C(=O)C(C)(C)N(CCOC)CCOC)cc2)cc1.
What is the InChIKey of 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
The InChIKey is KQVOKEVULAKDFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H52N2O7/c1-33(2,35(17-21-39-5)18-22-40-6)31(37)29-13-9-27(10-14-29)25-43-26-28-11-15-30(16-12-28)32(38)34(3,4)36(19-23-41-7)20-24-42-8/h9-16H,17-26H2,1-8H3.
What are the key properties of 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one?
2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one has a molecular weight of 600.80 g/mol, XLogP of 4.52, 22 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(2-methoxyethyl)amino]-1-[4-[[4-[2-[bis(2-methoxyethyl)amino]-2-methylpropanoyl]phenyl]methoxymethyl]phenyl]-2-methylpropan-1-one is sourced from PubChem (CID 141225663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).