3-[[2-(azepan-1-yl)acetyl]amino]benzamide

C15H21N3O2 — CID 54814769

IUPAC3-[[2-(azepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-15(20)12-6-5-7-13(10-12)17-14(19)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2,(H2,16,20)(H,17,19)
InChIKeySVAVTUDNPMLHBG-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.60
Rot. Bonds4

About 3-[[2-(azepan-1-yl)acetyl]amino]benzamide

3-[[2-(azepan-1-yl)acetyl]amino]benzamide (PubChem CID 54814769) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3-[[2-(azepan-1-yl)acetyl]amino]benzamide.

Molecular Properties

Compound Name3-[[2-(azepan-1-yl)acetyl]amino]benzamide
PubChem CID54814769
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3-[[2-(azepan-1-yl)acetyl]amino]benzamide
SMILESNC(=O)c1cccc(NC(=O)CN2CCCCCC2)c1
InChIInChI=1S/C15H21N3O2/c16-15(20)12-6-5-7-13(10-12)17-14(19)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2,(H2,16,20)(H,17,19)
InChIKeySVAVTUDNPMLHBG-UHFFFAOYSA-N
XLogP1.60
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-carbamothioylphenyl)-2-piperidin-1-ylacetamide
CID 24691128
3-[[2-(1,4-diazepan-1-yl)acetyl]amino]benzamide
CID 62839609
3-[[2-(azocan-1-yl)acetyl]amino]-N-methylbenzamide
CID 8679990
2-(azepan-1-yl)-N-(3-bromophenyl)acetamide
CID 2958639
2-(azocan-1-yl)-N-(3-methylphenyl)acetamide
CID 2655272
N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]propanamide
CID 54814595
N-[3-(aminomethyl)phenyl]-2-pyrrolidin-1-ylacetamide
CID 16779298
N-butyl-3-[(2-piperidin-1-ylacetyl)amino]benzamide
CID 54814797
N-(3-carbamothioylphenyl)-2-(1,4-thiazepan-4-yl)acetamide
CID 61419450
3-amino-N-[3-[[2-(azepan-1-yl)acetyl]amino]phenyl]butanamide
CID 119870425
N-(3-chlorophenyl)-2-pyrrolidin-1-ylacetamide;hydrochloride
CID 2917131
2-(azocan-1-yl)-N-(3-methoxyphenyl)acetamide
CID 8583685

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(azepan-1-yl)acetyl]amino]benzamide?
The IUPAC name of 3-[[2-(azepan-1-yl)acetyl]amino]benzamide (CID 54814769) is 3-[[2-(azepan-1-yl)acetyl]amino]benzamide.
What is the SMILES notation for 3-[[2-(azepan-1-yl)acetyl]amino]benzamide?
The canonical SMILES for 3-[[2-(azepan-1-yl)acetyl]amino]benzamide is NC(=O)c1cccc(NC(=O)CN2CCCCCC2)c1.
What is the InChIKey of 3-[[2-(azepan-1-yl)acetyl]amino]benzamide?
The InChIKey is SVAVTUDNPMLHBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c16-15(20)12-6-5-7-13(10-12)17-14(19)11-18-8-3-1-2-4-9-18/h5-7,10H,1-4,8-9,11H2,(H2,16,20)(H,17,19).
What are the key properties of 3-[[2-(azepan-1-yl)acetyl]amino]benzamide?
3-[[2-(azepan-1-yl)acetyl]amino]benzamide has a molecular weight of 275.35 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(azepan-1-yl)acetyl]amino]benzamide is sourced from PubChem (CID 54814769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).