2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide

C14H21N3O2 — CID 81075404

IUPAC2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
SMILESCC(CN)CC(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10(9-15)8-13(18)16-12-7-5-4-6-11(12)14(19)17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyVIIFWBVDSQDEQZ-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.31
Rot. Bonds5

About 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide

2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide (PubChem CID 81075404) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
PubChem CID81075404
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
SMILESCC(CN)CC(=O)Nc1ccccc1C(=O)N(C)C
InChIInChI=1S/C14H21N3O2/c1-10(9-15)8-13(18)16-12-7-5-4-6-11(12)14(19)17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18)
InChIKeyVIIFWBVDSQDEQZ-UHFFFAOYSA-N
XLogP1.31
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-3-methoxybutanoyl)amino]-N,N-dimethylbenzamide
CID 103154460
4-amino-3-methyl-N-(2-propan-2-ylphenyl)butanamide
CID 81071847
N,N'-bis[2-(dimethylcarbamoyl)phenyl]pentanediamide
CID 4943067
3-[(4-amino-3-methylbutanoyl)amino]-2-methylbenzamide
CID 81075423
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylbenzamide
CID 107441753
2-[2-(aminomethyl)pentanoylamino]-N,N-dimethylbenzamide
CID 65226220
2-amino-N-[2-(dimethylcarbamoyl)phenyl]butanediamide
CID 60847281
N,N-dimethyl-2-[[2-methyl-3-(methylamino)propanoyl]amino]benzamide
CID 79196582
N-(2-aminoethyl)-2-(3,5-dimethylhexanoylamino)benzamide
CID 120603507
2-[(4-carboxylato-3-methylbutanoyl)amino]benzoate
CID 4097016
2-[(5-amino-4-methylpentanoyl)amino]-N-methylbenzamide
CID 82016802
N,N-dimethyl-2-[3-[(2-phenylacetyl)amino]propanoylamino]benzamide
CID 39231388

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide (CID 81075404) is 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide is CC(CN)CC(=O)Nc1ccccc1C(=O)N(C)C.
What is the InChIKey of 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is VIIFWBVDSQDEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-10(9-15)8-13(18)16-12-7-5-4-6-11(12)14(19)17(2)3/h4-7,10H,8-9,15H2,1-3H3,(H,16,18).
What are the key properties of 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide?
2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 263.34 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3-methylbutanoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 81075404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).