1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide

C15H18N2O2 — CID 47117713

IUPAC1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C15H18N2O2/c1-19-13-6-4-5-12(9-13)10-17-14(18)15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,18)
InChIKeyBBKCLRXJGBCKLA-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.40
Rot. Bonds4

About 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide

1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide (PubChem CID 47117713) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
PubChem CID47117713
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide
SMILESCOc1cccc(CNC(=O)C2(C#N)CCCC2)c1
InChIInChI=1S/C15H18N2O2/c1-19-13-6-4-5-12(9-13)10-17-14(18)15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,18)
InChIKeyBBKCLRXJGBCKLA-UHFFFAOYSA-N
XLogP2.40
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyano-N-[[3-(phenylmethoxymethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 51090126
N-[(3-chlorophenyl)methyl]-1-cyanocyclohexane-1-carboxamide
CID 55071184
1-cyano-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclobutane-1-carboxamide
CID 111434813
1-[(1-hydroxycycloheptyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 111425507
1-cyano-N-[(3-fluorophenyl)methyl]cyclopropane-1-carboxamide
CID 80598717
2-(1-hydroxycyclopentyl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 111430199
2-cyano-N-[(3-methoxyphenyl)methyl]acetamide
CID 55134556
1-(cyclopentylidenemethyl)-3-[(3-methoxyphenyl)methyl]urea
CID 108913758
4-methoxy-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 119678226
1-[(Z)-N'-hydroxycarbamimidoyl]-N-[(3-methoxyphenyl)methyl]cyclobutane-1-carboxamide
CID 80597303
1-cyano-N-[(4-cyanophenyl)methyl]cyclohexane-1-carboxamide
CID 61461994
1-cyano-N-[(4-methoxy-3,5-dimethylphenyl)methyl]cyclopropane-1-carboxamide
CID 115181609

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide (CID 47117713) is 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide is COc1cccc(CNC(=O)C2(C#N)CCCC2)c1.
What is the InChIKey of 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
The InChIKey is BBKCLRXJGBCKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-19-13-6-4-5-12(9-13)10-17-14(18)15(11-16)7-2-3-8-15/h4-6,9H,2-3,7-8,10H2,1H3,(H,17,18).
What are the key properties of 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide?
1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[(3-methoxyphenyl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 47117713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).