N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide

C27H36N2O4 — CID 132613158

IUPACN-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CCC(=O)N(Cc2ccc(C)cc2)C(C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C27H36N2O4/c1-19-9-11-22(12-10-19)18-29(20(2)27(31)28-23-7-5-6-8-23)26(30)16-14-21-13-15-24(32-3)25(17-21)33-4/h9-13,15,17,20,23H,5-8,14,16,18H2,1-4H3,(H,28,31)
InChIKeyMPAWVPHJTFTXSI-UHFFFAOYSA-N
MW452.60 g/mol
LogP4.42
Rot. Bonds10

About N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide

N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide (PubChem CID 132613158) has the molecular formula C27H36N2O4 and a molecular weight of 452.60 g/mol. Its IUPAC name is N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
PubChem CID132613158
Molecular FormulaC27H36N2O4
Molecular Weight452.60 g/mol
Exact Mass452.27
IUPAC NameN-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide
SMILESCOc1ccc(CCC(=O)N(Cc2ccc(C)cc2)C(C)C(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C27H36N2O4/c1-19-9-11-22(12-10-19)18-29(20(2)27(31)28-23-7-5-6-8-23)26(30)16-14-21-13-15-24(32-3)25(17-21)33-4/h9-13,15,17,20,23H,5-8,14,16,18H2,1-4H3,(H,28,31)
InChIKeyMPAWVPHJTFTXSI-UHFFFAOYSA-N
XLogP4.42
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.60
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclopentylpropanamide
CID 132615819
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-(2-phenylethyl)amino]propanamide
CID 132613155
(2R)-2-[benzyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexylbutanamide
CID 100527518
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]butanamide
CID 132615461
(2S)-2-[(4-bromophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclopentyl-3-phenylpropanamide
CID 100527341
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 132984664
2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methoxyphenyl)methyl]amino]-N-methylpropanamide
CID 132664530
N-[(2R)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-4-(4-methylphenoxy)butanamide
CID 100514801
2-[(4-bromophenyl)methyl-[3-(3,4-dimethoxyphenyl)propanoyl]amino]-N-cyclohexyl-3-phenylpropanamide
CID 133253395
(2S)-N-cyclohexyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-3-phenylpropanamide
CID 100620889
N-cyclopentyl-2-[(3,4-dichlorophenyl)methyl-[3-(3,4-diethoxyphenyl)propanoyl]amino]propanamide
CID 132624430
2-[[2-(4-chloro-N-(3,4-dimethoxyphenyl)sulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 132642419

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
The IUPAC name of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide (CID 132613158) is N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
The canonical SMILES for N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide is COc1ccc(CCC(=O)N(Cc2ccc(C)cc2)C(C)C(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
The InChIKey is MPAWVPHJTFTXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N2O4/c1-19-9-11-22(12-10-19)18-29(20(2)27(31)28-23-7-5-6-8-23)26(30)16-14-21-13-15-24(32-3)25(17-21)33-4/h9-13,15,17,20,23H,5-8,14,16,18H2,1-4H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide?
N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide has a molecular weight of 452.60 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[3-(3,4-dimethoxyphenyl)propanoyl-[(4-methylphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132613158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).