3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide

C16H24N2O3 — CID 109013717

IUPAC3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNC2CCCC2)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-20-13-7-8-14(15(11-13)21-2)18-16(19)9-10-17-12-5-3-4-6-12/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyPNLDHYSAEHQQKK-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.56
Rot. Bonds7

About 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide

3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide (PubChem CID 109013717) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
PubChem CID109013717
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide
SMILESCOc1ccc(NC(=O)CCNC2CCCC2)c(OC)c1
InChIInChI=1S/C16H24N2O3/c1-20-13-7-8-14(15(11-13)21-2)18-16(19)9-10-17-12-5-3-4-6-12/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H,18,19)
InChIKeyPNLDHYSAEHQQKK-UHFFFAOYSA-N
XLogP2.56
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-3-[[(1R,2R)-2-hydroxycyclohexyl]methylamino]propanamide
CID 50969221
2-[3-(cyclopropylamino)propanoylamino]-4-methoxybenzoic acid
CID 115411585
N-(2,4-dimethoxyphenyl)-3-(prop-2-enylamino)propanamide
CID 109012115
3-[3-(2,4-dimethoxyanilino)-3-oxopropyl]sulfanyl-N-(2,4-dimethoxyphenyl)propanamide
CID 2933269
N-[3-(2,4-dimethoxyanilino)-3-oxopropyl]-2-methylpropanamide
CID 50875892
3-(2,4-dimethoxyanilino)-N-(2-ethoxyphenyl)propanamide
CID 109039741
N-(2,4-dimethoxyphenyl)-3-(pentylamino)propanamide
CID 109032275
N-(2,4-dimethoxyphenyl)-5-hydroxypentanamide
CID 79019431
N-(2,4-dimethoxyphenyl)-3-(2,5-dimethylpyrrol-1-yl)propanamide
CID 110689020
N-(2,4-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 868059
3-(azepan-1-yl)-N-(2,4-dimethoxyphenyl)propanamide;hydrochloride
CID 2901116
N-(2,4-dimethoxyphenyl)undecanamide
CID 4139645

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide?
The IUPAC name of 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide (CID 109013717) is 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide.
What is the SMILES notation for 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide?
The canonical SMILES for 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide is COc1ccc(NC(=O)CCNC2CCCC2)c(OC)c1.
What is the InChIKey of 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide?
The InChIKey is PNLDHYSAEHQQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-20-13-7-8-14(15(11-13)21-2)18-16(19)9-10-17-12-5-3-4-6-12/h7-8,11-12,17H,3-6,9-10H2,1-2H3,(H,18,19).
What are the key properties of 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide?
3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylamino)-N-(2,4-dimethoxyphenyl)propanamide is sourced from PubChem (CID 109013717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).