N-acetyl-N-(2,2-dimethylpropyl)benzamide

C14H19NO2 — CID 142599008

IUPACN-acetyl-N-(2,2-dimethylpropyl)benzamide
SMILESCC(=O)N(CC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(16)15(10-14(2,3)4)13(17)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
InChIKeyBMRWNFURAXWQMI-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.72
Rot. Bonds2

About N-acetyl-N-(2,2-dimethylpropyl)benzamide

N-acetyl-N-(2,2-dimethylpropyl)benzamide (PubChem CID 142599008) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-acetyl-N-(2,2-dimethylpropyl)benzamide.

Molecular Properties

Compound NameN-acetyl-N-(2,2-dimethylpropyl)benzamide
PubChem CID142599008
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC NameN-acetyl-N-(2,2-dimethylpropyl)benzamide
SMILESCC(=O)N(CC(C)(C)C)C(=O)c1ccccc1
InChIInChI=1S/C14H19NO2/c1-11(16)15(10-14(2,3)4)13(17)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3
InChIKeyBMRWNFURAXWQMI-UHFFFAOYSA-N
XLogP2.72
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-dimethylpropyl)-N-ethylbenzamide;ethane
CID 142910544
N-bromo-N-tert-butylbenzamide
CID 141466989
N-ethanethioyl-N-ethylbenzamide
CID 45118543
N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 13214665
acetic acid;N-tert-butyl-N-hydroxybenzamide
CID 162308139
4-[acetyl(benzoyl)amino]benzoic acid
CID 138333706
N-carbamimidoyl-N-ethylbenzamide
CID 138105289
N-(1-amino-2-methylpropan-2-yl)-N-methylbenzamide
CID 82507200
tert-butyl benzoate
CID 135038599
N-butanoyl-N-propylbenzamide
CID 70941556
N'-benzoyl-N'-tert-butyl-N-ethylbenzohydrazide
CID 19752906
N-(benzenecarbonothioyl)-N-propylbenzamide
CID 71326670

Frequently Asked Questions

What is the IUPAC name of N-acetyl-N-(2,2-dimethylpropyl)benzamide?
The IUPAC name of N-acetyl-N-(2,2-dimethylpropyl)benzamide (CID 142599008) is N-acetyl-N-(2,2-dimethylpropyl)benzamide.
What is the SMILES notation for N-acetyl-N-(2,2-dimethylpropyl)benzamide?
The canonical SMILES for N-acetyl-N-(2,2-dimethylpropyl)benzamide is CC(=O)N(CC(C)(C)C)C(=O)c1ccccc1.
What is the InChIKey of N-acetyl-N-(2,2-dimethylpropyl)benzamide?
The InChIKey is BMRWNFURAXWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11(16)15(10-14(2,3)4)13(17)12-8-6-5-7-9-12/h5-9H,10H2,1-4H3.
What are the key properties of N-acetyl-N-(2,2-dimethylpropyl)benzamide?
N-acetyl-N-(2,2-dimethylpropyl)benzamide has a molecular weight of 233.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-N-(2,2-dimethylpropyl)benzamide is sourced from PubChem (CID 142599008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).