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

C18H28N2O2 — CID 113122902

IUPAC3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)CCC(C)C
InChIInChI=1S/C18H28N2O2/c1-13(2)9-11-20(16(5)21)12-10-18(22)19-17-8-6-7-14(3)15(17)4/h6-8,13H,9-12H2,1-5H3,(H,19,22)
InChIKeyMOMWJXCOJVJSGB-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.53
Rot. Bonds7

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

3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113122902) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID113122902
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCC(=O)N(CCC(=O)Nc1cccc(C)c1C)CCC(C)C
InChIInChI=1S/C18H28N2O2/c1-13(2)9-11-20(16(5)21)12-10-18(22)19-17-8-6-7-14(3)15(17)4/h6-8,13H,9-12H2,1-5H3,(H,19,22)
InChIKeyMOMWJXCOJVJSGB-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113115015
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
3-[acetyl(1-phenylethyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113118985
3-[acetyl(3-methylbutyl)amino]-N-(2-ethoxyphenyl)propanamide
CID 113122932
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl-[2-(dimethylamino)ethyl]amino]-N-(2-methylphenyl)propanamide
CID 113117534
N-(2,3-dimethylphenyl)-4-oxopentanamide
CID 60636238
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
3-[acetyl(3-methylbutyl)amino]-N-(2-morpholin-4-ylphenyl)propanamide
CID 113122957

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide (CID 113122902) is 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide is CC(=O)N(CCC(=O)Nc1cccc(C)c1C)CCC(C)C.
What is the InChIKey of 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is MOMWJXCOJVJSGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-13(2)9-11-20(16(5)21)12-10-18(22)19-17-8-6-7-14(3)15(17)4/h6-8,13H,9-12H2,1-5H3,(H,19,22).
What are the key properties of 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide?
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 304.43 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113122902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).