N-(3-methoxyphenyl)azepane-1-carboxamide

C14H20N2O2 — CID 24819110

IUPACN-(3-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-13-8-6-7-12(11-13)15-14(17)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,15,17)
InChIKeyOQPCXYAHBWMLHQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.10
Rot. Bonds2

About N-(3-methoxyphenyl)azepane-1-carboxamide

N-(3-methoxyphenyl)azepane-1-carboxamide (PubChem CID 24819110) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(3-methoxyphenyl)azepane-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)azepane-1-carboxamide
PubChem CID24819110
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC NameN-(3-methoxyphenyl)azepane-1-carboxamide
SMILESCOc1cccc(NC(=O)N2CCCCCC2)c1
InChIInChI=1S/C14H20N2O2/c1-18-13-8-6-7-12(11-13)15-14(17)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,15,17)
InChIKeyOQPCXYAHBWMLHQ-UHFFFAOYSA-N
XLogP3.10
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)azepane-1-carboxamide?
The IUPAC name of N-(3-methoxyphenyl)azepane-1-carboxamide (CID 24819110) is N-(3-methoxyphenyl)azepane-1-carboxamide.
What is the SMILES notation for N-(3-methoxyphenyl)azepane-1-carboxamide?
The canonical SMILES for N-(3-methoxyphenyl)azepane-1-carboxamide is COc1cccc(NC(=O)N2CCCCCC2)c1.
What is the InChIKey of N-(3-methoxyphenyl)azepane-1-carboxamide?
The InChIKey is OQPCXYAHBWMLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-18-13-8-6-7-12(11-13)15-14(17)16-9-4-2-3-5-10-16/h6-8,11H,2-5,9-10H2,1H3,(H,15,17).
What are the key properties of N-(3-methoxyphenyl)azepane-1-carboxamide?
N-(3-methoxyphenyl)azepane-1-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)azepane-1-carboxamide is sourced from PubChem (CID 24819110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).