N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide

C15H21NO3 — CID 95905786

IUPACN-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CCCC2)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-15(8-4-5-9-15)14(17)16-12-7-6-11(18-2)10-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyPKLURUWLYNSJJU-UHFFFAOYSA-N
MW263.34 g/mol
LogP3.22
Rot. Bonds4

About N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide

N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 95905786) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID95905786
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC NameN-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCOc1ccc(NC(=O)C2(C)CCCC2)c(OC)c1
InChIInChI=1S/C15H21NO3/c1-15(8-4-5-9-15)14(17)16-12-7-6-11(18-2)10-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17)
InChIKeyPKLURUWLYNSJJU-UHFFFAOYSA-N
XLogP3.22
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-(2,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 81167421
1-amino-N-(2,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 65466971
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-methoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983060
N-(2,4-dimethoxyphenyl)-1-phenylsulfanylcyclopropane-1-carboxamide
CID 100784930
N-(2,4-dimethoxyphenyl)-2-(2-methoxyphenyl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779916
N-(2,4-dimethoxyphenyl)-3-propylpyrrolidine-3-carboxamide
CID 63141186
1-N-(4-acetamidophenyl)-1-N'-(2,4-dimethoxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983308
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(2,4-dimethoxyphenyl)-2-(furan-2-yl)-5-methyl-1,3-dioxane-5-carboxamide
CID 100779347
1-N'-(2,4-dimethoxyphenyl)-1-N-(3,4-dimethylphenyl)cyclopropane-1,1-dicarboxamide
CID 108981413
1-N'-(2,4-dimethoxyphenyl)-1-N-(4-propan-2-yloxyphenyl)cyclopropane-1,1-dicarboxamide
CID 108983259
(15R)-N-(2,4-dimethoxyphenyl)-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 1298429

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide (CID 95905786) is N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide is COc1ccc(NC(=O)C2(C)CCCC2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is PKLURUWLYNSJJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(8-4-5-9-15)14(17)16-12-7-6-11(18-2)10-13(12)19-3/h6-7,10H,4-5,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide?
N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 95905786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).