N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide

C16H20N2O — CID 62780707

IUPACN-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
SMILESCN(C(=O)C1CCCCCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-18(15-10-6-7-13(11-15)12-17)16(19)14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9H2,1H3
InChIKeyQZUSJRRDCBSGMF-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.49
Rot. Bonds2

About N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide

N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide (PubChem CID 62780707) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide.

Molecular Properties

Compound NameN-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
PubChem CID62780707
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC NameN-(3-cyanophenyl)-N-methylcycloheptanecarboxamide
SMILESCN(C(=O)C1CCCCCC1)c1cccc(C#N)c1
InChIInChI=1S/C16H20N2O/c1-18(15-10-6-7-13(11-15)12-17)16(19)14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9H2,1H3
InChIKeyQZUSJRRDCBSGMF-UHFFFAOYSA-N
XLogP3.49
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-(3-cyanophenyl)-N-methylazepane-1-carboxamide
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(3R)-1-[(3-cyanophenyl)-methylcarbamoyl]piperidine-3-carboxylic acid
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N-(3-cyanophenyl)-N,2,4,5-tetramethyloxolane-3-carboxamide
CID 65156211
N-[3-[(Z)-2-(dimethylamino)-1-sulfanylethenyl]phenyl]-N-methylcyclohexanecarboxamide
CID 142431047
N-(3-cyanophenyl)-2,2,2-trifluoro-N-methylacetamide
CID 55209867
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-ethynylphenyl)-N-methyl-1-prop-2-enoylpiperidine-3-carboxamide
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N-methyl-N-(4-methylphenyl)cyclohexanecarboxamide
CID 142999335
N-[4-[acetyl(methyl)amino]phenyl]-N-methylcyclohexanecarboxamide
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3-cyano-N-[5-[cyclohexanecarbonyl(methyl)amino]-1-[3-(methylamino)-3-oxopropyl]benzimidazol-2-yl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide?
The IUPAC name of N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide (CID 62780707) is N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide.
What is the SMILES notation for N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide?
The canonical SMILES for N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide is CN(C(=O)C1CCCCCC1)c1cccc(C#N)c1.
What is the InChIKey of N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide?
The InChIKey is QZUSJRRDCBSGMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-18(15-10-6-7-13(11-15)12-17)16(19)14-8-4-2-3-5-9-14/h6-7,10-11,14H,2-5,8-9H2,1H3.
What are the key properties of N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide?
N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanophenyl)-N-methylcycloheptanecarboxamide is sourced from PubChem (CID 62780707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).