3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide

C15H23N3O2 — CID 76887735

IUPAC3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)12(16)13(19)17-11-8-6-7-10(9-11)14(20)18(4)5/h6-9,12H,16H2,1-5H3,(H,17,19)
InChIKeyNEGJNHPDKIDKIK-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.70
Rot. Bonds3

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

3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide (PubChem CID 76887735) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
PubChem CID76887735
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C(N)C(C)(C)C)c1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)12(16)13(19)17-11-8-6-7-10(9-11)14(20)18(4)5/h6-9,12H,16H2,1-5H3,(H,17,19)
InChIKeyNEGJNHPDKIDKIK-UHFFFAOYSA-N
XLogP1.70
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-acetamidophenyl)-2-amino-3,3-dimethylbutanamide
CID 76891982
ethyl 3-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]benzoate
CID 103929675
(2S)-2-amino-N-(3-bromophenyl)-3,3-dimethylbutanamide;hydrochloride
CID 119670393
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N-(2-amino-2-oxoethyl)benzamide;hydrochloride
CID 119714323
2-amino-N-[3-(carbamoylamino)phenyl]-3,3-dimethylbutanamide
CID 76888107
N,N-dimethyl-3-[2-(methylamino)propanoylamino]benzamide
CID 62637299
3-[(2-acetamido-3-methylbutanoyl)amino]-N,N-dimethylbenzamide
CID 46517429
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,2-trimethylbenzamide;hydrochloride
CID 119808600
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
5-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 119798147
(2S)-2-amino-3,3-dimethyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119686872
3-(3-aminobutanoylamino)-N,N-dimethylbenzamide;hydrochloride
CID 119701572

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide?
The IUPAC name of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide (CID 76887735) is 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(NC(=O)C(N)C(C)(C)C)c1.
What is the InChIKey of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide?
The InChIKey is NEGJNHPDKIDKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)12(16)13(19)17-11-8-6-7-10(9-11)14(20)18(4)5/h6-9,12H,16H2,1-5H3,(H,17,19).
What are the key properties of 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide?
3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide has a molecular weight of 277.37 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-3,3-dimethylbutanoyl)amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 76887735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).