3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide

C23H33N3O3 — CID 42699343

IUPAC3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCOc1ccc(CN(CCCn2ccnc2)C(=O)CCC2CCCC2)cc1OC
InChIInChI=1S/C23H33N3O3/c1-28-21-10-8-20(16-22(21)29-2)17-26(14-5-13-25-15-12-24-18-25)23(27)11-9-19-6-3-4-7-19/h8,10,12,15-16,18-19H,3-7,9,11,13-14,17H2,1-2H3
InChIKeyBVVSXTGOKMZBGX-UHFFFAOYSA-N
MW399.54 g/mol
LogP4.29
Rot. Bonds11

About 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide

3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide (PubChem CID 42699343) has the molecular formula C23H33N3O3 and a molecular weight of 399.54 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide
PubChem CID42699343
Molecular FormulaC23H33N3O3
Molecular Weight399.54 g/mol
Exact Mass399.25
IUPAC Name3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide
SMILESCOc1ccc(CN(CCCn2ccnc2)C(=O)CCC2CCCC2)cc1OC
InChIInChI=1S/C23H33N3O3/c1-28-21-10-8-20(16-22(21)29-2)17-26(14-5-13-25-15-12-24-18-25)23(27)11-9-19-6-3-4-7-19/h8,10,12,15-16,18-19H,3-7,9,11,13-14,17H2,1-2H3
InChIKeyBVVSXTGOKMZBGX-UHFFFAOYSA-N
XLogP4.29
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3,4-dimethoxyphenyl)propyl]imidazole
CID 69084097
N-(1,3-benzodioxol-5-ylmethyl)-N-(3-imidazol-1-ylpropyl)hexanamide
CID 42724139
N-[(3,4-dimethoxyphenyl)methyl]-3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-ethylpropanamide
CID 46655434
3-cyclopentyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5021493
N-(3,4-dimethoxyphenyl)-5-imidazol-1-ylpentanamide
CID 11558534
N-[(3,4-dimethoxyphenyl)methyl]-N-propylbutanamide
CID 71106778
4-(3-imidazol-1-ylpropoxy)-3-methoxybenzoic acid
CID 61494840
N-(3-imidazol-1-ylpropyl)-1-methyl-N-(pyridin-3-ylmethyl)azepane-2-carboxamide
CID 74244457
[5-[[3-cyclopentylpropanoyl(2-methylpropyl)amino]methyl]-2-methoxyphenyl] 4-fluorobenzenesulfonate
CID 5218582
1-[(4-ethoxyphenyl)methyl]-1-(3-imidazol-1-ylpropyl)-3-(4-methoxyphenyl)urea
CID 47023595
(4aR,8aS)-4-(3,4-dimethoxyphenyl)-2-(4-imidazol-1-ylbutyl)-4a,5,6,7,8,8a-hexahydrophthalazin-1-one;hydrochloride
CID 86755622
N-butyl-N-[(3,4-dimethoxyphenyl)methyl]-3,3-dimethylbutanamide
CID 18736111

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide?
The IUPAC name of 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide (CID 42699343) is 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide is COc1ccc(CN(CCCn2ccnc2)C(=O)CCC2CCCC2)cc1OC.
What is the InChIKey of 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide?
The InChIKey is BVVSXTGOKMZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O3/c1-28-21-10-8-20(16-22(21)29-2)17-26(14-5-13-25-15-12-24-18-25)23(27)11-9-19-6-3-4-7-19/h8,10,12,15-16,18-19H,3-7,9,11,13-14,17H2,1-2H3.
What are the key properties of 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide?
3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide has a molecular weight of 399.54 g/mol, XLogP of 4.29, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]-N-(3-imidazol-1-ylpropyl)propanamide is sourced from PubChem (CID 42699343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).