3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide

C17H26N2O2 — CID 134058978

IUPAC3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-19(6)15(20)13-8-7-9-14(10-13)18-16(21)17(3,4)5/h7-10,12H,11H2,1-6H3,(H,18,21)
InChIKeyDLNCQYQSHUMCCC-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.40
Rot. Bonds4

About 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide

3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide (PubChem CID 134058978) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
PubChem CID134058978
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide
SMILESCC(C)CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1
InChIInChI=1S/C17H26N2O2/c1-12(2)11-19(6)15(20)13-8-7-9-14(10-13)18-16(21)17(3,4)5/h7-10,12H,11H2,1-6H3,(H,18,21)
InChIKeyDLNCQYQSHUMCCC-UHFFFAOYSA-N
XLogP3.40
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-methyl-N-(2-methylpropyl)benzamide
CID 47163271
3-(2,2-dimethylpropanoylamino)-N-ethyl-N-methylbenzamide
CID 134063370
3-bromo-N-methyl-N-(2-methylpropyl)benzamide
CID 43243440
3-(3-acetylphenyl)-1-methyl-1-(2-methylpropyl)urea
CID 47364374
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-(2,2-dimethylpropanoylamino)-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 25497310
3-(2,2-dimethylpropanoylamino)-N-propan-2-ylbenzamide
CID 17197425
N-[1-(3,4-difluorophenyl)ethyl]-3-(2,2-dimethylpropanoylamino)-N-methylbenzamide
CID 46523132
3-(2,2-dimethylpropanoylamino)-N-[4-(3-methylbutanoylamino)phenyl]benzamide
CID 33037592
3-(chloromethyl)-N-methyl-N-(2-methylpropyl)benzamide
CID 43271895
3-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N-dimethylbenzamide
CID 81490003

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide (CID 134058978) is 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide is CC(C)CN(C)C(=O)c1cccc(NC(=O)C(C)(C)C)c1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide?
The InChIKey is DLNCQYQSHUMCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-12(2)11-19(6)15(20)13-8-7-9-14(10-13)18-16(21)17(3,4)5/h7-10,12H,11H2,1-6H3,(H,18,21).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide?
3-(2,2-dimethylpropanoylamino)-N-methyl-N-(2-methylpropyl)benzamide has a molecular weight of 290.41 g/mol, XLogP of 3.40, 4 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-methyl-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 134058978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).