3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide

C15H22N2O2 — CID 134063370

IUPAC3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-6-17(5)13(18)11-8-7-9-12(10-11)16-14(19)15(2,3)4/h7-10H,6H2,1-5H3,(H,16,19)
InChIKeyFLMJALLIIPHMAL-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.76
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide

3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide (PubChem CID 134063370) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
PubChem CID134063370
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
SMILESCCN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C15H22N2O2/c1-6-17(5)13(18)11-8-7-9-12(10-11)16-14(19)15(2,3)4/h7-10H,6H2,1-5H3,(H,16,19)
InChIKeyFLMJALLIIPHMAL-UHFFFAOYSA-N
XLogP2.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
CID 134058978
N-(1-adamantylmethyl)-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 37365014
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 134057619
3-[(3-chloro-2,2-dimethylpropanoyl)amino]-N,N-diethylbenzamide
CID 63680145
3-[(2-amino-2-phenylpropanoyl)amino]-N,N-diethylbenzamide
CID 120587025
N-(2,6-diethylphenyl)-3-(2,2-dimethylpropanoylamino)benzamide
CID 35339689
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003
3-(2,2-dimethylpropanoylamino)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31841528
methyl 3-[[ethyl(methyl)carbamoyl]amino]benzoate
CID 78916676
3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-[[2-(aminomethyl)-2-ethylbutanoyl]amino]-N,N-dimethylbenzamide
CID 115431854
3-(2,2-dimethylpropanoylamino)-N-prop-2-enylbenzamide
CID 134057626

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide (CID 134063370) is 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide is CCN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide?
The InChIKey is FLMJALLIIPHMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-6-17(5)13(18)11-8-7-9-12(10-11)16-14(19)15(2,3)4/h7-10H,6H2,1-5H3,(H,16,19).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide?
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide has a molecular weight of 262.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide is sourced from PubChem (CID 134063370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).