3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide

C14H21N3O2 — CID 65269739

IUPAC3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-13(2,14(3,4)16)12(19)17-10-7-5-6-9(8-10)11(15)18/h5-8H,16H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyYCNSTLWFMLGNOR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.49
Rot. Bonds4

About 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide

3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide (PubChem CID 65269739) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide.

Molecular Properties

Compound Name3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
PubChem CID65269739
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide
SMILESCC(C)(N)C(C)(C)C(=O)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C14H21N3O2/c1-13(2,14(3,4)16)12(19)17-10-7-5-6-9(8-10)11(15)18/h5-8H,16H2,1-4H3,(H2,15,18)(H,17,19)
InChIKeyYCNSTLWFMLGNOR-UHFFFAOYSA-N
XLogP1.49
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-amino-2,2,3-trimethyl-N-(3-sulfamoylphenyl)butanamide
CID 65264374
3-[[(3Z)-3-amino-3-hydroxyimino-2,2-dimethylpropanoyl]amino]benzamide
CID 107811795
4-[(3-amino-2,2,3-trimethylbutanoyl)amino]-3-methylbenzamide
CID 65264856
3-amino-N-[3-(methoxymethyl)phenyl]-2,2,3-trimethylbutanamide
CID 65264450
3-amino-2,2,3-trimethyl-N-[3-(methylsulfamoyl)phenyl]butanamide
CID 65264954
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]benzamide
CID 115432410
3-[[2-[(Z)-N'-hydroxycarbamimidoyl]-2-methylbutanoyl]amino]benzamide
CID 107811794
N-(4-carbamoylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 29404148
3-[(2-amino-3,3,3-trifluoro-2-methylpropanoyl)amino]benzoic acid
CID 79805170
3-amino-2,2,3-trimethyl-N-quinoxalin-6-ylbutanamide
CID 65269314
3-(methylamino)benzamide
CID 18727714

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide?
The IUPAC name of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide (CID 65269739) is 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide.
What is the SMILES notation for 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide?
The canonical SMILES for 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide is CC(C)(N)C(C)(C)C(=O)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide?
The InChIKey is YCNSTLWFMLGNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-13(2,14(3,4)16)12(19)17-10-7-5-6-9(8-10)11(15)18/h5-8H,16H2,1-4H3,(H2,15,18)(H,17,19).
What are the key properties of 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide?
3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide has a molecular weight of 263.34 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2,2,3-trimethylbutanoyl)amino]benzamide is sourced from PubChem (CID 65269739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).