3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide

C17H26N2O2 — CID 113116210

IUPAC3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1cccc(C)c1C)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-6-13(3)19(15(5)20)11-10-17(21)18-16-9-7-8-12(2)14(16)4/h7-9,13H,6,10-11H2,1-5H3,(H,18,21)
InChIKeyKHTINLWNJQKYSD-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.28
Rot. Bonds6

About 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide

3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113116210) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID113116210
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1cccc(C)c1C)C(C)=O
InChIInChI=1S/C17H26N2O2/c1-6-13(3)19(15(5)20)11-10-17(21)18-16-9-7-8-12(2)14(16)4/h7-9,13H,6,10-11H2,1-5H3,(H,18,21)
InChIKeyKHTINLWNJQKYSD-UHFFFAOYSA-N
XLogP3.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902
3-[acetyl(butan-2-yl)amino]-N-(2-cyanophenyl)propanamide
CID 113116297
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-[acetyl(butan-2-yl)amino]-N-(3-chlorophenyl)propanamide
CID 113116225
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[benzyl(propan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 109031799
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912
3-[acetyl(butan-2-yl)amino]-N-(4-chlorophenyl)propanamide
CID 113116226
3-[acetyl(butan-2-yl)amino]-N-(4-ethylphenyl)propanamide
CID 113116212

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide (CID 113116210) is 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide is CCC(C)N(CCC(=O)Nc1cccc(C)c1C)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is KHTINLWNJQKYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-6-13(3)19(15(5)20)11-10-17(21)18-16-9-7-8-12(2)14(16)4/h7-9,13H,6,10-11H2,1-5H3,(H,18,21).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 290.41 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113116210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).