3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide

C15H22N2O2 — CID 17197425

IUPAC3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-10(2)16-13(18)11-7-6-8-12(9-11)17-14(19)15(3,4)5/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKeyKQNOYYVYEUZZOP-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.81
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide

3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide (PubChem CID 17197425) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
PubChem CID17197425
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-10(2)16-13(18)11-7-6-8-12(9-11)17-14(19)15(3,4)5/h6-10H,1-5H3,(H,16,18)(H,17,19)
InChIKeyKQNOYYVYEUZZOP-UHFFFAOYSA-N
XLogP2.81
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-bis(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 58903239
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
CID 103732776
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]-N-methylbenzamide
CID 134050295
3-[[3-(2,2-dimethylpropanoylamino)benzoyl]amino]benzamide
CID 17297099
3-(2,2-dimethylpropanoylamino)-N-(1-pyridin-2-ylethyl)benzamide
CID 43045588
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)benzamide
CID 134057320
3-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-[[(2R)-2-aminopropanoyl]amino]-N-propan-2-ylbenzamide
CID 54995638
3-methyl-N-[3-(propan-2-ylcarbamoyl)phenyl]benzamide
CID 17197365
3-(2,2-dimethylpropanoylamino)-N-(2-propan-2-ylphenyl)benzamide
CID 35207652
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]-2-oxoethyl]amino]benzamide
CID 54835251
N-butan-2-yl-3-[[2-[3-(2,2-dimethylpropanoylamino)anilino]acetyl]amino]benzamide
CID 54835547

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide (CID 17197425) is 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
The InChIKey is KQNOYYVYEUZZOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10(2)16-13(18)11-7-6-8-12(9-11)17-14(19)15(3,4)5/h6-10H,1-5H3,(H,16,18)(H,17,19).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide?
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide is sourced from PubChem (CID 17197425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).