N-(4-methylphenyl)azepane-1-carboxamide

C14H20N2O — CID 7913332

IUPACN-(4-methylphenyl)azepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C14H20N2O/c1-12-6-8-13(9-7-12)15-14(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,15,17)
InChIKeyCDYOBRYYUHQOQI-UHFFFAOYSA-N
MW232.33 g/mol
LogP3.40
Rot. Bonds1

About N-(4-methylphenyl)azepane-1-carboxamide

N-(4-methylphenyl)azepane-1-carboxamide (PubChem CID 7913332) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is N-(4-methylphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)azepane-1-carboxamide
PubChem CID7913332
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC NameN-(4-methylphenyl)azepane-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCCCCC2)cc1
InChIInChI=1S/C14H20N2O/c1-12-6-8-13(9-7-12)15-14(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,15,17)
InChIKeyCDYOBRYYUHQOQI-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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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)azepane-1-carboxamide?
The IUPAC name of N-(4-methylphenyl)azepane-1-carboxamide (CID 7913332) is N-(4-methylphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(4-methylphenyl)azepane-1-carboxamide is Cc1ccc(NC(=O)N2CCCCCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)azepane-1-carboxamide?
The InChIKey is CDYOBRYYUHQOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-12-6-8-13(9-7-12)15-14(17)16-10-4-2-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,15,17).
What are the key properties of N-(4-methylphenyl)azepane-1-carboxamide?
N-(4-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-(4-methylphenyl)azepane-1-carboxamide is sourced from PubChem (CID 7913332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).