N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide

C17H25NO3 — CID 110407029

IUPACN-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-11-10-13(12-16(15)21-2)6-5-9-17(19)18-14-7-3-4-8-14/h10-12,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyVPLRFUKCLRJPSQ-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.09
Rot. Bonds7

About N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide

N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide (PubChem CID 110407029) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
PubChem CID110407029
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC NameN-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide
SMILESCOc1ccc(CCCC(=O)NC2CCCC2)cc1OC
InChIInChI=1S/C17H25NO3/c1-20-15-11-10-13(12-16(15)21-2)6-5-9-17(19)18-14-7-3-4-8-14/h10-12,14H,3-9H2,1-2H3,(H,18,19)
InChIKeyVPLRFUKCLRJPSQ-UHFFFAOYSA-N
XLogP3.09
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-(3,4-dimethoxyphenyl)butanamide
CID 110406403
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-cyclododecyl-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 19221706
3-(3-amino-4-methoxyphenyl)-N-cyclopentylpropanamide
CID 39362398
N-(4-aminocyclohexyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 119478687
3-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclohexylpropanamide
CID 111075449
N-(1-acetylpiperidin-4-yl)-3-(3,4-dimethoxyphenyl)propanamide
CID 51203874
N'-cyclopentyl-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 4550942
N-cycloheptyl-4-(3,4-dimethoxyphenyl)-4-oxobutanamide
CID 17457747
N-cyclopropyl-4-[[N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-methylcarbamimidoyl]amino]butanamide;hydroiodide
CID 111213558
4-[[amino-[2-(3,4-dimethoxyphenyl)ethylamino]methylidene]amino]-N-cyclopropylbutanamide;hydroiodide
CID 111066112
N-cyclopentyl-2-[2-(3,4-dimethoxyphenyl)ethyl-methylsulfonylamino]acetamide
CID 113152523

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide?
The IUPAC name of N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide (CID 110407029) is N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide.
What is the SMILES notation for N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide?
The canonical SMILES for N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide is COc1ccc(CCCC(=O)NC2CCCC2)cc1OC.
What is the InChIKey of N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide?
The InChIKey is VPLRFUKCLRJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-20-15-11-10-13(12-16(15)21-2)6-5-9-17(19)18-14-7-3-4-8-14/h10-12,14H,3-9H2,1-2H3,(H,18,19).
What are the key properties of N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide?
N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide has a molecular weight of 291.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(3,4-dimethoxyphenyl)butanamide is sourced from PubChem (CID 110407029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).