3-[(3-methylbutanoylamino)carbamoyl]benzamide

C13H17N3O3 — CID 30828709

IUPAC3-[(3-methylbutanoylamino)carbamoyl]benzamide
SMILESCC(C)CC(=O)NNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H17N3O3/c1-8(2)6-11(17)15-16-13(19)10-5-3-4-9(7-10)12(14)18/h3-5,7-8H,6H2,1-2H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyLQYWGPYERIQQQY-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.59
Rot. Bonds4

About 3-[(3-methylbutanoylamino)carbamoyl]benzamide

3-[(3-methylbutanoylamino)carbamoyl]benzamide (PubChem CID 30828709) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-[(3-methylbutanoylamino)carbamoyl]benzamide.

Molecular Properties

Compound Name3-[(3-methylbutanoylamino)carbamoyl]benzamide
PubChem CID30828709
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-[(3-methylbutanoylamino)carbamoyl]benzamide
SMILESCC(C)CC(=O)NNC(=O)c1cccc(C(N)=O)c1
InChIInChI=1S/C13H17N3O3/c1-8(2)6-11(17)15-16-13(19)10-5-3-4-9(7-10)12(14)18/h3-5,7-8H,6H2,1-2H3,(H2,14,18)(H,15,17)(H,16,19)
InChIKeyLQYWGPYERIQQQY-UHFFFAOYSA-N
XLogP0.59
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774
3-(dimethylamino)-N'-(3-methylbutanoyl)benzohydrazide
CID 30485788
N'-(3-methylbutanoyl)-3-nitrobenzohydrazide
CID 9333812
3-[[(4-carbamoylbenzoyl)amino]carbamoyl]benzamide
CID 139830477
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
methyl (2R)-2-[(3-carbamoylbenzoyl)amino]propanoate
CID 113257904
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
3-bromo-N-[2-[2-(3-methylbutanoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 41387812
3-N-[(2R)-3-methylbutan-2-yl]benzene-1,3-dicarboxamide
CID 30827773
2-[(3-carbamoylbenzoyl)amino]-3-methylbutanoic acid
CID 60859011
(2R)-2-[(3-carbamoylbenzoyl)amino]-4-methylpentanoic acid
CID 78975452
3-N-(1-amino-3-methylbutan-2-yl)benzene-1,3-dicarboxamide
CID 65191392

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylbutanoylamino)carbamoyl]benzamide?
The IUPAC name of 3-[(3-methylbutanoylamino)carbamoyl]benzamide (CID 30828709) is 3-[(3-methylbutanoylamino)carbamoyl]benzamide.
What is the SMILES notation for 3-[(3-methylbutanoylamino)carbamoyl]benzamide?
The canonical SMILES for 3-[(3-methylbutanoylamino)carbamoyl]benzamide is CC(C)CC(=O)NNC(=O)c1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3-methylbutanoylamino)carbamoyl]benzamide?
The InChIKey is LQYWGPYERIQQQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8(2)6-11(17)15-16-13(19)10-5-3-4-9(7-10)12(14)18/h3-5,7-8H,6H2,1-2H3,(H2,14,18)(H,15,17)(H,16,19).
What are the key properties of 3-[(3-methylbutanoylamino)carbamoyl]benzamide?
3-[(3-methylbutanoylamino)carbamoyl]benzamide has a molecular weight of 263.30 g/mol, XLogP of 0.59, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylbutanoylamino)carbamoyl]benzamide is sourced from PubChem (CID 30828709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).