2-oxo-3-phenylazepane-3-carboxamide

C13H16N2O2 — CID 14763630

IUPAC2-oxo-3-phenylazepane-3-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCCNC1=O
InChIInChI=1S/C13H16N2O2/c14-11(16)13(10-6-2-1-3-7-10)8-4-5-9-15-12(13)17/h1-3,6-7H,4-5,8-9H2,(H2,14,16)(H,15,17)
InChIKeyIMVQOQMGFLVTSD-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.71
Rot. Bonds2

About 2-oxo-3-phenylazepane-3-carboxamide

2-oxo-3-phenylazepane-3-carboxamide (PubChem CID 14763630) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 2-oxo-3-phenylazepane-3-carboxamide.

Molecular Properties

Compound Name2-oxo-3-phenylazepane-3-carboxamide
PubChem CID14763630
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name2-oxo-3-phenylazepane-3-carboxamide
SMILESNC(=O)C1(c2ccccc2)CCCCNC1=O
InChIInChI=1S/C13H16N2O2/c14-11(16)13(10-6-2-1-3-7-10)8-4-5-9-15-12(13)17/h1-3,6-7H,4-5,8-9H2,(H2,14,16)(H,15,17)
InChIKeyIMVQOQMGFLVTSD-UHFFFAOYSA-N
XLogP0.71
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-phenylazepane-3-carboxamide?
The IUPAC name of 2-oxo-3-phenylazepane-3-carboxamide (CID 14763630) is 2-oxo-3-phenylazepane-3-carboxamide.
What is the SMILES notation for 2-oxo-3-phenylazepane-3-carboxamide?
The canonical SMILES for 2-oxo-3-phenylazepane-3-carboxamide is NC(=O)C1(c2ccccc2)CCCCNC1=O.
What is the InChIKey of 2-oxo-3-phenylazepane-3-carboxamide?
The InChIKey is IMVQOQMGFLVTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c14-11(16)13(10-6-2-1-3-7-10)8-4-5-9-15-12(13)17/h1-3,6-7H,4-5,8-9H2,(H2,14,16)(H,15,17).
What are the key properties of 2-oxo-3-phenylazepane-3-carboxamide?
2-oxo-3-phenylazepane-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.71, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-phenylazepane-3-carboxamide is sourced from PubChem (CID 14763630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).