2-[(2-amino-5-methoxypentanoyl)amino]benzamide

C13H19N3O3 — CID 81082219

IUPAC2-[(2-amino-5-methoxypentanoyl)amino]benzamide
SMILESCOCCCC(N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-19-8-4-6-10(14)13(18)16-11-7-3-2-5-9(11)12(15)17/h2-3,5,7,10H,4,6,8,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyOUIXWLOGWAWUOS-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.48
Rot. Bonds7

About 2-[(2-amino-5-methoxypentanoyl)amino]benzamide

2-[(2-amino-5-methoxypentanoyl)amino]benzamide (PubChem CID 81082219) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[(2-amino-5-methoxypentanoyl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-amino-5-methoxypentanoyl)amino]benzamide
PubChem CID81082219
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name2-[(2-amino-5-methoxypentanoyl)amino]benzamide
SMILESCOCCCC(N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O3/c1-19-8-4-6-10(14)13(18)16-11-7-3-2-5-9(11)12(15)17/h2-3,5,7,10H,4,6,8,14H2,1H3,(H2,15,17)(H,16,18)
InChIKeyOUIXWLOGWAWUOS-UHFFFAOYSA-N
XLogP0.48
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-amino-4-methoxybutanoyl)amino]benzamide
CID 55080862
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
methyl 3-[(2-amino-5-methoxypentanoyl)amino]-2-methylbenzoate
CID 81084760
2-amino-5-methoxy-N-[2-(trifluoromethyl)phenyl]pentanamide
CID 81082297
2-amino-N-[2-(methanesulfonamido)phenyl]-5-methoxypentanamide
CID 81086132
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
3-[(2-amino-5-methoxypentanoyl)amino]-4-fluorobenzamide
CID 81083526
2-amino-5-methoxy-N-naphthalen-2-ylpentanamide
CID 81083067
2-amino-N-(2,5-difluorophenyl)-5-methoxypentanamide
CID 81081032
methyl 2-[(2-amino-5-methoxypentanoyl)amino]-4-chlorobenzoate
CID 81084917
methyl N-[4-[(2-amino-5-methoxypentanoyl)amino]phenyl]carbamate
CID 81071019
2-amino-N-(2-fluoro-5-methylphenyl)-5-methoxypentanamide
CID 81081841

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-methoxypentanoyl)amino]benzamide?
The IUPAC name of 2-[(2-amino-5-methoxypentanoyl)amino]benzamide (CID 81082219) is 2-[(2-amino-5-methoxypentanoyl)amino]benzamide.
What is the SMILES notation for 2-[(2-amino-5-methoxypentanoyl)amino]benzamide?
The canonical SMILES for 2-[(2-amino-5-methoxypentanoyl)amino]benzamide is COCCCC(N)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-amino-5-methoxypentanoyl)amino]benzamide?
The InChIKey is OUIXWLOGWAWUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-19-8-4-6-10(14)13(18)16-11-7-3-2-5-9(11)12(15)17/h2-3,5,7,10H,4,6,8,14H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 2-[(2-amino-5-methoxypentanoyl)amino]benzamide?
2-[(2-amino-5-methoxypentanoyl)amino]benzamide has a molecular weight of 265.31 g/mol, XLogP of 0.48, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-methoxypentanoyl)amino]benzamide is sourced from PubChem (CID 81082219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).