3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide

C25H31NO2 — CID 42697749

IUPAC3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
SMILESCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)CCC2CCCC2)cc1
InChIInChI=1S/C25H31NO2/c1-20(18-22-10-4-3-5-11-22)19-26(23-13-15-24(28-2)16-14-23)25(27)17-12-21-8-6-7-9-21/h3-5,10-11,13-16,18,21H,6-9,12,17,19H2,1-2H3/b20-18+
InChIKeyKGRNPFCHLIUCSU-CZIZESTLSA-N
MW377.53 g/mol
LogP6.10
Rot. Bonds8

About 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide

3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide (PubChem CID 42697749) has the molecular formula C25H31NO2 and a molecular weight of 377.53 g/mol. Its IUPAC name is 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
PubChem CID42697749
Molecular FormulaC25H31NO2
Molecular Weight377.53 g/mol
Exact Mass377.24
IUPAC Name3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
SMILESCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)CCC2CCCC2)cc1
InChIInChI=1S/C25H31NO2/c1-20(18-22-10-4-3-5-11-22)19-26(23-13-15-24(28-2)16-14-23)25(27)17-12-21-8-6-7-9-21/h3-5,10-11,13-16,18,21H,6-9,12,17,19H2,1-2H3/b20-18+
InChIKeyKGRNPFCHLIUCSU-CZIZESTLSA-N
XLogP6.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.53
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 42697314
3-(1-adamantyl)-1-(4-methoxyphenyl)-1-(2-methyl-3-phenylprop-2-enyl)urea
CID 4647974
N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697315
N-[[1-[2-(4-chlorophenoxy)acetyl]piperidin-4-yl]methyl]-3-cyclopentyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide
CID 42705608
N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697539
2-(N-butanoyl-4-methoxyanilino)acetic acid
CID 28765925
N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697308
tert-butyl N-(4-methoxyphenyl)-N-[(E)-2-methylbut-2-enyl]carbamate
CID 11680858
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697663
2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]-N-(2-methylpropyl)acetamide
CID 42702376
N-(2-cyclopentylethyl)-N-phenylacetamide
CID 57298515
3-cyclopentyl-N-[3-[(2-methoxyphenyl)carbamoylamino]propyl]-N-phenylpropanamide
CID 42706802

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide (CID 42697749) is 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide is COc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)CCC2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide?
The InChIKey is KGRNPFCHLIUCSU-CZIZESTLSA-N. The full InChI is InChI=1S/C25H31NO2/c1-20(18-22-10-4-3-5-11-22)19-26(23-13-15-24(28-2)16-14-23)25(27)17-12-21-8-6-7-9-21/h3-5,10-11,13-16,18,21H,6-9,12,17,19H2,1-2H3/b20-18+.
What are the key properties of 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide?
3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide has a molecular weight of 377.53 g/mol, XLogP of 6.10, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]propanamide is sourced from PubChem (CID 42697749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).