3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide

C29H35NO3 — CID 10275387

IUPAC3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(C(CC(N)=O)c2ccc(OC)c(C=C3CCCC3)c2)cc1C=C1CCCC1
InChIInChI=1S/C29H35NO3/c1-32-27-13-11-22(17-24(27)15-20-7-3-4-8-20)26(19-29(30)31)23-12-14-28(33-2)25(18-23)16-21-9-5-6-10-21/h11-18,26H,3-10,19H2,1-2H3,(H2,30,31)
InChIKeyGRNWSMXWHCCTSH-UHFFFAOYSA-N
MW445.60 g/mol
LogP6.63
Rot. Bonds8

About 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide

3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide (PubChem CID 10275387) has the molecular formula C29H35NO3 and a molecular weight of 445.60 g/mol. Its IUPAC name is 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide.

Molecular Properties

Compound Name3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide
PubChem CID10275387
Molecular FormulaC29H35NO3
Molecular Weight445.60 g/mol
Exact Mass445.26
IUPAC Name3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide
SMILESCOc1ccc(C(CC(N)=O)c2ccc(OC)c(C=C3CCCC3)c2)cc1C=C1CCCC1
InChIInChI=1S/C29H35NO3/c1-32-27-13-11-22(17-24(27)15-20-7-3-4-8-20)26(19-29(30)31)23-12-14-28(33-2)25(18-23)16-21-9-5-6-10-21/h11-18,26H,3-10,19H2,1-2H3,(H2,30,31)
InChIKeyGRNWSMXWHCCTSH-UHFFFAOYSA-N
XLogP6.63
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.60
LogP ≤ 56.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,4-dimethoxyphenyl)-4-[4-methoxy-3-[(E)-prop-1-enyl]phenyl]butan-2-one
CID 10155101
2-[4-[3-(cyclopentylidenemethyl)-4-methoxyphenyl]piperidin-1-yl]-2-oxoacetic acid
CID 19379064
3-amino-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 65096717
3-[3-(cyclopentylidenemethyl)-4-methoxyphenyl]-3-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 54470630
3-amino-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 170875743
(3R)-3-(3,4-dimethoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124876743
(3R)-3-amino-3-(3,4-dimethoxyphenyl)propanoic acid
CID 670404
5-(4-amino-1,2-dihydroxy-4-oxobutyl)-2-methoxybenzoic acid
CID 171899771
(3S)-3-(3-hydroxy-4-methoxyphenyl)-3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]propanamide
CID 124878469
2-(3,4-dimethoxyphenyl)but-3-enoic acid;ethene
CID 143227697
3,4-dihydroxy-4-(4-methoxy-3-methylphenyl)butanamide
CID 171899098
(3R)-3-amino-3-(6-methoxynaphthalen-2-yl)propanamide
CID 29060145

Frequently Asked Questions

What is the IUPAC name of 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide?
The IUPAC name of 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide (CID 10275387) is 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide.
What is the SMILES notation for 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide?
The canonical SMILES for 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide is COc1ccc(C(CC(N)=O)c2ccc(OC)c(C=C3CCCC3)c2)cc1C=C1CCCC1.
What is the InChIKey of 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide?
The InChIKey is GRNWSMXWHCCTSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35NO3/c1-32-27-13-11-22(17-24(27)15-20-7-3-4-8-20)26(19-29(30)31)23-12-14-28(33-2)25(18-23)16-21-9-5-6-10-21/h11-18,26H,3-10,19H2,1-2H3,(H2,30,31).
What are the key properties of 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide?
3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide has a molecular weight of 445.60 g/mol, XLogP of 6.63, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-bis[3-(cyclopentylidenemethyl)-4-methoxyphenyl]propanamide is sourced from PubChem (CID 10275387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).