N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide

C15H18N2O — CID 78981313

IUPACN-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1(C)CCCC1
InChIInChI=1S/C15H18N2O/c1-11-5-6-12(10-16)9-13(11)17-14(18)15(2)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMZMMBBQBUMKGGI-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.39
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide

N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide (PubChem CID 78981313) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
PubChem CID78981313
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1(C)CCCC1
InChIInChI=1S/C15H18N2O/c1-11-5-6-12(10-16)9-13(11)17-14(18)15(2)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyMZMMBBQBUMKGGI-UHFFFAOYSA-N
XLogP3.39
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 105002347
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N-(5-bromo-2-methylphenyl)-1-methylcyclohexane-1-carboxamide
CID 106827400
N-(5-cyano-2-methylphenyl)-4-propylpiperidine-4-carboxamide
CID 63129014
2-(1-aminocyclopentyl)-N-(5-cyano-2-methylphenyl)acetamide
CID 64679673
4-amino-N-(5-cyano-2-methylphenyl)-3-methyloxolane-3-carboxamide
CID 66264173
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(5-cyano-2-pyridinyl)-1-methylcyclohexane-1-carboxamide
CID 102609120
N-(5-cyano-2-methylphenyl)azepane-1-carboxamide
CID 78983990
methyl 2-(5-cyano-2-methylanilino)-2-oxoacetate
CID 112617117
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024
N-(5-cyano-2-methylphenyl)-5-methylfuran-2-carboxamide
CID 47475916

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide (CID 78981313) is N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide is Cc1ccc(C#N)cc1NC(=O)C1(C)CCCC1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
The InChIKey is MZMMBBQBUMKGGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-11-5-6-12(10-16)9-13(11)17-14(18)15(2)7-3-4-8-15/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide?
N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-1-methylcyclopentane-1-carboxamide is sourced from PubChem (CID 78981313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).