2-(2,2-dimethylbutanoylamino)benzamide

C13H18N2O2 — CID 3914045

IUPAC2-(2,2-dimethylbutanoylamino)benzamide
SMILESCCC(C)(C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O2/c1-4-13(2,3)12(17)15-10-8-6-5-7-9(10)11(14)16/h5-8H,4H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYCZCNNGPYFNNAZ-UHFFFAOYSA-N
MW234.30 g/mol
LogP2.16
Rot. Bonds4

About 2-(2,2-dimethylbutanoylamino)benzamide

2-(2,2-dimethylbutanoylamino)benzamide (PubChem CID 3914045) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(2,2-dimethylbutanoylamino)benzamide.

Molecular Properties

Compound Name2-(2,2-dimethylbutanoylamino)benzamide
PubChem CID3914045
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(2,2-dimethylbutanoylamino)benzamide
SMILESCCC(C)(C)C(=O)Nc1ccccc1C(N)=O
InChIInChI=1S/C13H18N2O2/c1-4-13(2,3)12(17)15-10-8-6-5-7-9(10)11(14)16/h5-8H,4H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyYCZCNNGPYFNNAZ-UHFFFAOYSA-N
XLogP2.16
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)phenyl]-2,2-dimethylbutanamide
CID 63756106
N-[2-(chloromethyl)phenyl]-2,2-dimethylbutanamide
CID 114298325
2,2-dimethyl-N-naphthalen-1-ylbutanamide
CID 59672446
3-(2,2-dimethylbutanoylamino)-2-methylbenzoic acid
CID 62947405
2-[(2-amino-2-ethylbutyl)amino]benzamide
CID 113283240
2-[[2-(ethylamino)benzoyl]amino]benzamide
CID 63107722
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-2-methylbenzamide
CID 55246391
2-(2-bromobutanoylamino)benzamide
CID 23323526
N-[2-(1-hydroxyethyl)phenyl]-2,2-dimethylbutanamide
CID 55103349
N'-(2-carbamoylphenyl)-N-(2-ethylphenyl)oxamide
CID 108529346
2-(2-ethylbutanoylamino)benzamide
CID 1214109
2,2-dimethyl-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]butanamide
CID 4316622

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylbutanoylamino)benzamide?
The IUPAC name of 2-(2,2-dimethylbutanoylamino)benzamide (CID 3914045) is 2-(2,2-dimethylbutanoylamino)benzamide.
What is the SMILES notation for 2-(2,2-dimethylbutanoylamino)benzamide?
The canonical SMILES for 2-(2,2-dimethylbutanoylamino)benzamide is CCC(C)(C)C(=O)Nc1ccccc1C(N)=O.
What is the InChIKey of 2-(2,2-dimethylbutanoylamino)benzamide?
The InChIKey is YCZCNNGPYFNNAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-13(2,3)12(17)15-10-8-6-5-7-9(10)11(14)16/h5-8H,4H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of 2-(2,2-dimethylbutanoylamino)benzamide?
2-(2,2-dimethylbutanoylamino)benzamide has a molecular weight of 234.30 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylbutanoylamino)benzamide is sourced from PubChem (CID 3914045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).