3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide

C15H23N3O2 — CID 81075273

IUPAC3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(CN)CC(=O)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(20)12-5-4-6-13(8-12)18-14(19)7-11(3)9-16/h4-6,8,10-11H,7,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyBBDBJBOMIULGLI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.75
Rot. Bonds6

About 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide

3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide (PubChem CID 81075273) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
PubChem CID81075273
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide
SMILESCC(CN)CC(=O)Nc1cccc(C(=O)NC(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-10(2)17-15(20)12-5-4-6-13(8-12)18-14(19)7-11(3)9-16/h4-6,8,10-11H,7,9,16H2,1-3H3,(H,17,20)(H,18,19)
InChIKeyBBDBJBOMIULGLI-UHFFFAOYSA-N
XLogP1.75
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-amino-3-methylbutanoyl)amino]benzoic acid
CID 81087394
4-amino-3-methyl-N-[3-(propanoylamino)phenyl]butanamide
CID 81087317
N-propan-2-yl-3-[(2-propan-2-yloxyacetyl)amino]benzamide
CID 47412911
4-amino-N-[3-(methoxymethyl)phenyl]-3-methylbutanamide
CID 81075773
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-[[2-(4-chlorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 17197433
3-[[2-oxo-2-[3-(propanoylamino)anilino]ethyl]amino]-N-propan-2-ylbenzamide
CID 54833731
4-amino-3-methyl-N-[3-(2-methylpropoxy)phenyl]butanamide
CID 81075304
2-[3-[(4-amino-3-methylbutanoyl)amino]phenyl]acetic acid
CID 81080665
4-amino-3-methyl-N-(3-methylsulfonylphenyl)butanamide
CID 81075894
3-[3-(2-aminophenyl)propanoylamino]-N-propan-2-ylbenzamide
CID 54795481
3-[[3-(3-methylbutanoylamino)benzoyl]amino]benzamide
CID 9325774

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide (CID 81075273) is 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide is CC(CN)CC(=O)Nc1cccc(C(=O)NC(C)C)c1.
What is the InChIKey of 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide?
The InChIKey is BBDBJBOMIULGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10(2)17-15(20)12-5-4-6-13(8-12)18-14(19)7-11(3)9-16/h4-6,8,10-11H,7,9,16H2,1-3H3,(H,17,20)(H,18,19).
What are the key properties of 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide?
3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.75, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-3-methylbutanoyl)amino]-N-propan-2-ylbenzamide is sourced from PubChem (CID 81075273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).