N-(2-methylphenyl)azepane-1-carboxamide

C14H20N2O — CID 19165583

IUPACN-(2-methylphenyl)azepane-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCCCC1
InChIInChI=1S/C14H20N2O/c1-12-8-4-5-9-13(12)15-14(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,15,17)
InChIKeyLQUKJWNJANJFJA-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.40
Rot. Bonds1

About N-(2-methylphenyl)azepane-1-carboxamide

N-(2-methylphenyl)azepane-1-carboxamide (PubChem CID 19165583) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(2-methylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)azepane-1-carboxamide
PubChem CID19165583
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(2-methylphenyl)azepane-1-carboxamide
SMILESCc1ccccc1NC(=O)N1CCCCCC1
InChIInChI=1S/C14H20N2O/c1-12-8-4-5-9-13(12)15-14(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,15,17)
InChIKeyLQUKJWNJANJFJA-UHFFFAOYSA-N
XLogP3.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 113111145
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CID 23140153
N-(2-methylphenyl)-4-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)piperazine-1-carboxamide
CID 47001194
N-(3-hydroxy-2-methylphenyl)piperidine-1-carboxamide
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(3R)-3-(methylamino)-N-(2-methylphenyl)piperidine-1-carboxamide;hydrochloride
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N-(2-methylphenyl)-4-[(3S)-3-(pyrrolidine-1-carbonyl)piperidin-1-yl]piperidine-1-carboxamide
CID 95561000
N-(2-acetylphenyl)pyrrolidine-1-carboxamide
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2-[4-[(2-methylphenyl)carbamoyl]piperazin-1-yl]propanoic acid
CID 62310905
N-(2-methylphenyl)-2-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132258
(6R)-1-methyl-N-(2-methylphenyl)-2-oxo-1,8-diazaspiro[5.5]undecane-8-carboxamide
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N-(4-carbamoyl-2-methylphenyl)azocane-1-carboxamide
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2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)azepane-1-carboxamide?
The IUPAC name of N-(2-methylphenyl)azepane-1-carboxamide (CID 19165583) is N-(2-methylphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(2-methylphenyl)azepane-1-carboxamide is Cc1ccccc1NC(=O)N1CCCCCC1.
What is the InChIKey of N-(2-methylphenyl)azepane-1-carboxamide?
The InChIKey is LQUKJWNJANJFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-8-4-5-9-13(12)15-14(17)16-10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,15,17).
What are the key properties of N-(2-methylphenyl)azepane-1-carboxamide?
N-(2-methylphenyl)azepane-1-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 19165583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).