N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide

C23H29NO4 — CID 1149690

IUPACN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1
InChIInChI=1S/C23H29NO4/c1-26-19-9-6-17(7-10-19)14-22(25)24-16-23(12-4-5-13-23)18-8-11-20(27-2)21(15-18)28-3/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,24,25)
InChIKeyLKHRNZLMNQDKKQ-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.88
Rot. Bonds8

About N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide

N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 1149690) has the molecular formula C23H29NO4 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
PubChem CID1149690
Molecular FormulaC23H29NO4
Molecular Weight383.49 g/mol
Exact Mass383.21
IUPAC NameN-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1
InChIInChI=1S/C23H29NO4/c1-26-19-9-6-17(7-10-19)14-22(25)24-16-23(12-4-5-13-23)18-8-11-20(27-2)21(15-18)28-3/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,24,25)
InChIKeyLKHRNZLMNQDKKQ-UHFFFAOYSA-N
XLogP3.88
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[1-(4-chlorophenyl)cyclobutyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 110440126
2-amino-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]acetamide;hydrochloride
CID 119325911
4-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methylamino]-4-oxobutanoate
CID 3678737
N-[[1-(4-methoxyphenyl)cyclopropyl]methyl]-2-(4-methylphenyl)acetamide
CID 113090752
N'-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]oxamide
CID 27262045
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-[(2,5-dimethoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 59768254
4-(aminomethyl)-N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]oxane-4-carboxamide;hydrochloride
CID 120932991
1-(3,4-dimethoxyphenyl)-3-[[1-(4-methoxyphenyl)cyclopropyl]methyl]urea
CID 113214699
N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-2-pyrrolidin-2-ylacetamide;hydrochloride
CID 119787567
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-3-(2-hydroxyphenyl)-3-phenylpropanamide
CID 2870147
4-[[[N-[[1-(3,4-dimethoxyphenyl)cyclohexyl]methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111580807
N-[(1-aminocyclohexyl)methyl]-2-(3,4-dimethoxyphenyl)acetamide;hydrochloride
CID 119404276

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide (CID 1149690) is N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)NCC2(c3ccc(OC)c(OC)c3)CCCC2)cc1.
What is the InChIKey of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is LKHRNZLMNQDKKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO4/c1-26-19-9-6-17(7-10-19)14-22(25)24-16-23(12-4-5-13-23)18-8-11-20(27-2)21(15-18)28-3/h6-11,15H,4-5,12-14,16H2,1-3H3,(H,24,25).
What are the key properties of N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide?
N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 383.49 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,4-dimethoxyphenyl)cyclopentyl]methyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 1149690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).