2-[(2-amino-4-methoxybutanoyl)amino]benzamide

C12H17N3O3 — CID 55080862

IUPAC2-[(2-amino-4-methoxybutanoyl)amino]benzamide
SMILESCOCCC(N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H17N3O3/c1-18-7-6-9(13)12(17)15-10-5-3-2-4-8(10)11(14)16/h2-5,9H,6-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWMBJXJZKJCQOMA-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.09
Rot. Bonds6

About 2-[(2-amino-4-methoxybutanoyl)amino]benzamide

2-[(2-amino-4-methoxybutanoyl)amino]benzamide (PubChem CID 55080862) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(2-amino-4-methoxybutanoyl)amino]benzamide.

Molecular Properties

Compound Name2-[(2-amino-4-methoxybutanoyl)amino]benzamide
PubChem CID55080862
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(2-amino-4-methoxybutanoyl)amino]benzamide
SMILESCOCCC(N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C12H17N3O3/c1-18-7-6-9(13)12(17)15-10-5-3-2-4-8(10)11(14)16/h2-5,9H,6-7,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyWMBJXJZKJCQOMA-UHFFFAOYSA-N
XLogP0.09
TPSA107.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-amino-5-methoxypentanoyl)amino]benzamide
CID 81082219
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-amino-N-[3-bromo-2-(methoxymethyl)phenyl]-4-methoxybutanamide
CID 62473419
2-amino-N-(2-hydroxyphenyl)-5-methoxypentanamide
CID 81089431
2-amino-4-methoxy-N-(2-prop-2-enylsulfanylphenyl)butanamide
CID 62473395
5-[(2-amino-4-methoxybutanoyl)amino]-2-fluorobenzamide
CID 62474462
2-amino-N-(4-hydroxyphenyl)-4-methoxybutanamide
CID 62472832
2-amino-N-[2-(methoxymethyl)phenyl]pentanamide
CID 43701011
2-(2-ethylbutanoylamino)benzamide
CID 1214109
methyl 2-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate
CID 104907008
methyl 3-[(2-amino-5-methoxypentanoyl)amino]-2-methylbenzoate
CID 81084760
2-(2-bromopropanoylamino)benzamide
CID 14588064

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-4-methoxybutanoyl)amino]benzamide?
The IUPAC name of 2-[(2-amino-4-methoxybutanoyl)amino]benzamide (CID 55080862) is 2-[(2-amino-4-methoxybutanoyl)amino]benzamide.
What is the SMILES notation for 2-[(2-amino-4-methoxybutanoyl)amino]benzamide?
The canonical SMILES for 2-[(2-amino-4-methoxybutanoyl)amino]benzamide is COCCC(N)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[(2-amino-4-methoxybutanoyl)amino]benzamide?
The InChIKey is WMBJXJZKJCQOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-7-6-9(13)12(17)15-10-5-3-2-4-8(10)11(14)16/h2-5,9H,6-7,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-[(2-amino-4-methoxybutanoyl)amino]benzamide?
2-[(2-amino-4-methoxybutanoyl)amino]benzamide has a molecular weight of 251.29 g/mol, XLogP of 0.09, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-4-methoxybutanoyl)amino]benzamide is sourced from PubChem (CID 55080862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).