2-amino-N-(2-oxoazepan-3-yl)benzamide

C13H17N3O2 — CID 2799711

IUPAC2-amino-N-(2-oxoazepan-3-yl)benzamide
SMILESNc1ccccc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C13H17N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1-2,5-6,11H,3-4,7-8,14H2,(H,15,18)(H,16,17)
InChIKeyLPKBXZPNZBXSNO-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.67
Rot. Bonds2

About 2-amino-N-(2-oxoazepan-3-yl)benzamide

2-amino-N-(2-oxoazepan-3-yl)benzamide (PubChem CID 2799711) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-N-(2-oxoazepan-3-yl)benzamide.

Molecular Properties

Compound Name2-amino-N-(2-oxoazepan-3-yl)benzamide
PubChem CID2799711
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-N-(2-oxoazepan-3-yl)benzamide
SMILESNc1ccccc1C(=O)NC1CCCCNC1=O
InChIInChI=1S/C13H17N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1-2,5-6,11H,3-4,7-8,14H2,(H,15,18)(H,16,17)
InChIKeyLPKBXZPNZBXSNO-UHFFFAOYSA-N
XLogP0.67
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-oxoazepan-3-yl)benzamide?
The IUPAC name of 2-amino-N-(2-oxoazepan-3-yl)benzamide (CID 2799711) is 2-amino-N-(2-oxoazepan-3-yl)benzamide.
What is the SMILES notation for 2-amino-N-(2-oxoazepan-3-yl)benzamide?
The canonical SMILES for 2-amino-N-(2-oxoazepan-3-yl)benzamide is Nc1ccccc1C(=O)NC1CCCCNC1=O.
What is the InChIKey of 2-amino-N-(2-oxoazepan-3-yl)benzamide?
The InChIKey is LPKBXZPNZBXSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c14-10-6-2-1-5-9(10)12(17)16-11-7-3-4-8-15-13(11)18/h1-2,5-6,11H,3-4,7-8,14H2,(H,15,18)(H,16,17).
What are the key properties of 2-amino-N-(2-oxoazepan-3-yl)benzamide?
2-amino-N-(2-oxoazepan-3-yl)benzamide has a molecular weight of 247.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-oxoazepan-3-yl)benzamide is sourced from PubChem (CID 2799711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).