1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide

C16H20N2O3 — CID 29240891

IUPAC1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2(C#N)CCCC2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-11-8-13(20-2)14(21-3)9-12(11)18-15(19)16(10-17)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyHEZQAWKBFKXISB-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.03
Rot. Bonds4

About 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide

1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide (PubChem CID 29240891) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
PubChem CID29240891
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide
SMILESCOc1cc(C)c(NC(=O)C2(C#N)CCCC2)cc1OC
InChIInChI=1S/C16H20N2O3/c1-11-8-13(20-2)14(21-3)9-12(11)18-15(19)16(10-17)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,18,19)
InChIKeyHEZQAWKBFKXISB-UHFFFAOYSA-N
XLogP3.03
TPSA71.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-(3,4-dimethoxyphenyl)cyclopentane-1-carboxamide
CID 29240913
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
1-cyano-N-(2-methoxyphenyl)cyclobutane-1-carboxamide
CID 78994745
1-cyano-N-(3,4-dimethoxyphenyl)cyclobutane-1-carboxamide
CID 78994979
N-(4-bromo-2-methylphenyl)-1-cyanocyclopentane-1-carboxamide
CID 51224336
N-(3-chloro-4-methoxyphenyl)-1-cyanocyclohexane-1-carboxamide
CID 61458949
1-(4,5-dimethoxy-2-methylbenzoyl)cyclopropane-1-carbonitrile
CID 116920860
1-cyano-N-(3,4-dimethoxyphenyl)cyclopropane-1-carboxamide
CID 80599311
1-cyano-N-(2-methylphenyl)cyclobutane-1-carboxamide
CID 78994720
1-cyano-N-(2,5-dimethyl-4-nitrophenyl)cyclopropane-1-carboxamide
CID 103145506
N-(2-bromo-5-chloro-4-methylphenyl)-1-cyanocycloheptane-1-carboxamide
CID 104723753
3-(4,5-dimethoxy-2-methylbenzoyl)oxetane-3-carbonitrile
CID 116922287

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide (CID 29240891) is 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide is COc1cc(C)c(NC(=O)C2(C#N)CCCC2)cc1OC.
What is the InChIKey of 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
The InChIKey is HEZQAWKBFKXISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11-8-13(20-2)14(21-3)9-12(11)18-15(19)16(10-17)6-4-5-7-16/h8-9H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide?
1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-(4,5-dimethoxy-2-methylphenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 29240891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).