2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide

C13H19N3O2 — CID 61148588

IUPAC2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-13(2,3)10(14)12(18)16-9-7-5-4-6-8(9)11(15)17/h4-7,10H,14H2,1-3H3,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeyQHFVSCYCVJBNLG-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds3

About 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide

2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide (PubChem CID 61148588) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide.

Molecular Properties

Compound Name2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
PubChem CID61148588
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide
SMILESCC(C)(C)[C@H](N)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H19N3O2/c1-13(2,3)10(14)12(18)16-9-7-5-4-6-8(9)11(15)17/h4-7,10H,14H2,1-3H3,(H2,15,17)(H,16,18)/t10-/m1/s1
InChIKeyQHFVSCYCVJBNLG-SNVBAGLBSA-N
XLogP1.10
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(2-amino-3,3-dimethylbutanoyl)amino]benzoate
CID 76893535
(2S)-2-amino-3,3-dimethyl-N-(2-methylphenyl)butanamide;hydrochloride
CID 119670466
(2S)-2-amino-N-(2-bromophenyl)-3,3-dimethylbutanamide
CID 61148878
2-(2-bromopropanoylamino)benzamide
CID 14588064
2-[2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]phenyl]acetic acid
CID 62535737
3-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]-2-methylbenzoic acid
CID 61153924
2-amino-N-(2-ethylsulfonylphenyl)-3,3-dimethylbutanamide
CID 76892969
(2S)-2-amino-N-[2-(dimethylamino)phenyl]-3,3-dimethylbutanamide
CID 61179694
2-(2-ethylbutanoylamino)benzamide
CID 1214109
(2R)-2-amino-3,3-dimethyl-N-(2-propylphenyl)butanamide
CID 103928701
2-[(2-amino-4-methylpentanoyl)amino]benzamide
CID 24702801
2-amino-N-(2,3-dimethylphenyl)-3,3-dimethylbutanamide
CID 76892662

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide?
The IUPAC name of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide (CID 61148588) is 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide.
What is the SMILES notation for 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide?
The canonical SMILES for 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide is CC(C)(C)[C@H](N)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide?
The InChIKey is QHFVSCYCVJBNLG-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(2,3)10(14)12(18)16-9-7-5-4-6-8(9)11(15)17/h4-7,10H,14H2,1-3H3,(H2,15,17)(H,16,18)/t10-/m1/s1.
What are the key properties of 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide?
2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide has a molecular weight of 249.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-amino-3,3-dimethylbutanoyl]amino]benzamide is sourced from PubChem (CID 61148588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).