N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide

C30H42N2O5 — CID 132620714

IUPACN-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
SMILESCCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)C(CC)C(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C30H42N2O5/c1-5-26(30(34)31-24-12-8-9-13-24)32(21-23-11-10-14-25(19-23)35-4)29(33)18-16-22-15-17-27(36-6-2)28(20-22)37-7-3/h10-11,14-15,17,19-20,24,26H,5-9,12-13,16,18,21H2,1-4H3,(H,31,34)
InChIKeyPMGDZQWXPCRTEQ-UHFFFAOYSA-N
MW510.68 g/mol
LogP5.29
Rot. Bonds14

About N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide

N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide (PubChem CID 132620714) has the molecular formula C30H42N2O5 and a molecular weight of 510.68 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
PubChem CID132620714
Molecular FormulaC30H42N2O5
Molecular Weight510.68 g/mol
Exact Mass510.31
IUPAC NameN-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
SMILESCCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)C(CC)C(=O)NC2CCCC2)cc1OCC
InChIInChI=1S/C30H42N2O5/c1-5-26(30(34)31-24-12-8-9-13-24)32(21-23-11-10-14-25(19-23)35-4)29(33)18-16-22-15-17-27(36-6-2)28(20-22)37-7-3/h10-11,14-15,17,19-20,24,26H,5-9,12-13,16,18,21H2,1-4H3,(H,31,34)
InChIKeyPMGDZQWXPCRTEQ-UHFFFAOYSA-N
XLogP5.29
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.68
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-cyclohexyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]butanamide
CID 100599845
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-[3-(4-methylphenyl)propanoyl]amino]butanamide
CID 132611390
(2R)-N-cyclohexyl-2-[3-(4-ethylphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
CID 100593047
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 132618643
N-cyclohexyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132618630
2-[(4-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclopentylbutanamide
CID 132621358
(2R)-2-[benzyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 100527518
2-[benzyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133263604
N-cyclohexyl-2-[[2-(4-methoxyphenyl)acetyl]-[(3-methoxyphenyl)methyl]amino]butanamide
CID 132613131
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-N-ethyl-3-phenylpropanamide
CID 132624075
2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]-3-phenyl-N-propylpropanamide
CID 133201159
2-[(3-chlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 133248113

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide?
The IUPAC name of N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide (CID 132620714) is N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide is CCOc1ccc(CCC(=O)N(Cc2cccc(OC)c2)C(CC)C(=O)NC2CCCC2)cc1OCC.
What is the InChIKey of N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide?
The InChIKey is PMGDZQWXPCRTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42N2O5/c1-5-26(30(34)31-24-12-8-9-13-24)32(21-23-11-10-14-25(19-23)35-4)29(33)18-16-22-15-17-27(36-6-2)28(20-22)37-7-3/h10-11,14-15,17,19-20,24,26H,5-9,12-13,16,18,21H2,1-4H3,(H,31,34).
What are the key properties of N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide?
N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide has a molecular weight of 510.68 g/mol, XLogP of 5.29, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(3,4-diethoxyphenyl)propanoyl-[(3-methoxyphenyl)methyl]amino]butanamide is sourced from PubChem (CID 132620714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).