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

C16H24N2O2 — CID 113115015

IUPAC3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1cccc(C)c1C)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-5-10-18(14(4)19)11-9-16(20)17-15-8-6-7-12(2)13(15)3/h6-8H,5,9-11H2,1-4H3,(H,17,20)
InChIKeyHZENVZDTRNKLBF-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.89
Rot. Bonds6

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

3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide (PubChem CID 113115015) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
PubChem CID113115015
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide
SMILESCCCN(CCC(=O)Nc1cccc(C)c1C)C(C)=O
InChIInChI=1S/C16H24N2O2/c1-5-10-18(14(4)19)11-9-16(20)17-15-8-6-7-12(2)13(15)3/h6-8H,5,9-11H2,1-4H3,(H,17,20)
InChIKeyHZENVZDTRNKLBF-UHFFFAOYSA-N
XLogP2.89
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(propyl)amino]-N-(2-methylphenyl)propanamide
CID 113115004
3-[acetyl(propyl)amino]-N-(3-chloro-2-methylphenyl)propanamide
CID 113115032
3-[acetyl(3-methylbutyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122902
N,N'-bis(2,3-dimethylphenyl)butanediamide
CID 4250073
3-[acetyl(butan-2-yl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113116210
3-[acetyl(cycloheptyl)amino]-N-(2,3-dimethylphenyl)propanamide
CID 113122712
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
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-(2-ethoxyphenyl)propanamide
CID 113115045
N-(2,3-dimethylphenyl)dodecanamide
CID 4198682
2-[acetyl(2-methylpropyl)amino]-N-(2,3-dimethylphenyl)acetamide
CID 113158912

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The IUPAC name of 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide (CID 113115015) is 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The canonical SMILES for 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide is CCCN(CCC(=O)Nc1cccc(C)c1C)C(C)=O.
What is the InChIKey of 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide?
The InChIKey is HZENVZDTRNKLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-5-10-18(14(4)19)11-9-16(20)17-15-8-6-7-12(2)13(15)3/h6-8H,5,9-11H2,1-4H3,(H,17,20).
What are the key properties of 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide?
3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide has a molecular weight of 276.38 g/mol, XLogP of 2.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(propyl)amino]-N-(2,3-dimethylphenyl)propanamide is sourced from PubChem (CID 113115015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).