3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

C20H27N3O2 — CID 25346365

IUPAC3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1ccc([C@H](NC(=O)CCC2CCCC2)c2nccn2C)cc1
InChIInChI=1S/C20H27N3O2/c1-23-14-13-21-20(23)19(16-8-10-17(25-2)11-9-16)22-18(24)12-7-15-5-3-4-6-15/h8-11,13-15,19H,3-7,12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyAOWQJNFXDZSCJO-IBGZPJMESA-N
MW341.46 g/mol
LogP3.60
Rot. Bonds7

About 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide

3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (PubChem CID 25346365) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
PubChem CID25346365
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
SMILESCOc1ccc([C@H](NC(=O)CCC2CCCC2)c2nccn2C)cc1
InChIInChI=1S/C20H27N3O2/c1-23-14-13-21-20(23)19(16-8-10-17(25-2)11-9-16)22-18(24)12-7-15-5-3-4-6-15/h8-11,13-15,19H,3-7,12H2,1-2H3,(H,22,24)/t19-/m0/s1
InChIKeyAOWQJNFXDZSCJO-IBGZPJMESA-N
XLogP3.60
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 124818173
4-amino-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pentanamide
CID 120564384
3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(3-methylphenyl)methyl]propanamide
CID 110442119
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]cyclobutanecarboxamide
CID 46528505
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
3-cyclohexyl-N-[(1-methylimidazol-2-yl)-(2-methylphenyl)methyl]propanamide
CID 110442102
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
(2S)-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]oxolane-2-carboxamide
CID 39508060
N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 25388473
3-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-1,1-dimethylurea
CID 110429250
4-(2,5-dimethylphenyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-4-oxobutanamide
CID 134024637

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide (CID 25346365) is 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is COc1ccc([C@H](NC(=O)CCC2CCCC2)c2nccn2C)cc1.
What is the InChIKey of 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
The InChIKey is AOWQJNFXDZSCJO-IBGZPJMESA-N. The full InChI is InChI=1S/C20H27N3O2/c1-23-14-13-21-20(23)19(16-8-10-17(25-2)11-9-16)22-18(24)12-7-15-5-3-4-6-15/h8-11,13-15,19H,3-7,12H2,1-2H3,(H,22,24)/t19-/m0/s1.
What are the key properties of 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide?
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide has a molecular weight of 341.46 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide is sourced from PubChem (CID 25346365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).