4-[(3-amino-2-methylbutanoyl)amino]benzamide

C12H17N3O2 — CID 113416058

IUPAC4-[(3-amino-2-methylbutanoyl)amino]benzamide
SMILESCC(N)C(C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-7(8(2)13)12(17)15-10-5-3-9(4-6-10)11(14)16/h3-8H,13H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyRPWMHRGVWYVBFM-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.71
Rot. Bonds4

About 4-[(3-amino-2-methylbutanoyl)amino]benzamide

4-[(3-amino-2-methylbutanoyl)amino]benzamide (PubChem CID 113416058) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(3-amino-2-methylbutanoyl)amino]benzamide.

Molecular Properties

Compound Name4-[(3-amino-2-methylbutanoyl)amino]benzamide
PubChem CID113416058
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[(3-amino-2-methylbutanoyl)amino]benzamide
SMILESCC(N)C(C)C(=O)Nc1ccc(C(N)=O)cc1
InChIInChI=1S/C12H17N3O2/c1-7(8(2)13)12(17)15-10-5-3-9(4-6-10)11(14)16/h3-8H,13H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyRPWMHRGVWYVBFM-UHFFFAOYSA-N
XLogP0.71
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-2-methylbutanoyl)amino]-N-methylbenzamide
CID 113416120
4-[[(2S)-2-amino-3-methylbutanoyl]amino]benzamide
CID 22690703
4-[[(2S)-2-chloropropanoyl]amino]benzamide
CID 2118148
3-amino-2-methyl-N-(4-propan-2-ylphenyl)butanamide
CID 113416059
4-[2-(carbamoylamino)propanoylamino]benzamide
CID 24640882
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 2-methylpropanoate
CID 7782484
4-(2-aminopentanoylamino)benzamide;hydrochloride
CID 119262578
4-(propan-2-ylcarbamoylamino)benzamide
CID 47027880
4-[[(2S)-2-amino-2-phenylacetyl]amino]benzamide
CID 22691729
4-[[(2R)-2-(4-fluoroanilino)propanoyl]amino]benzamide
CID 32736130
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043

Frequently Asked Questions

What is the IUPAC name of 4-[(3-amino-2-methylbutanoyl)amino]benzamide?
The IUPAC name of 4-[(3-amino-2-methylbutanoyl)amino]benzamide (CID 113416058) is 4-[(3-amino-2-methylbutanoyl)amino]benzamide.
What is the SMILES notation for 4-[(3-amino-2-methylbutanoyl)amino]benzamide?
The canonical SMILES for 4-[(3-amino-2-methylbutanoyl)amino]benzamide is CC(N)C(C)C(=O)Nc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[(3-amino-2-methylbutanoyl)amino]benzamide?
The InChIKey is RPWMHRGVWYVBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-7(8(2)13)12(17)15-10-5-3-9(4-6-10)11(14)16/h3-8H,13H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of 4-[(3-amino-2-methylbutanoyl)amino]benzamide?
4-[(3-amino-2-methylbutanoyl)amino]benzamide has a molecular weight of 235.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-amino-2-methylbutanoyl)amino]benzamide is sourced from PubChem (CID 113416058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).