3-(N-acetyl-4-methylanilino)propanamide

C12H16N2O2 — CID 21238865

IUPAC3-(N-acetyl-4-methylanilino)propanamide
SMILESCC(=O)N(CCC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O2/c1-9-3-5-11(6-4-9)14(10(2)15)8-7-12(13)16/h3-6H,7-8H2,1-2H3,(H2,13,16)
InChIKeyYEHSHNHZUSXLRH-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.22
Rot. Bonds4

About 3-(N-acetyl-4-methylanilino)propanamide

3-(N-acetyl-4-methylanilino)propanamide (PubChem CID 21238865) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-(N-acetyl-4-methylanilino)propanamide.

Molecular Properties

Compound Name3-(N-acetyl-4-methylanilino)propanamide
PubChem CID21238865
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-(N-acetyl-4-methylanilino)propanamide
SMILESCC(=O)N(CCC(N)=O)c1ccc(C)cc1
InChIInChI=1S/C12H16N2O2/c1-9-3-5-11(6-4-9)14(10(2)15)8-7-12(13)16/h3-6H,7-8H2,1-2H3,(H2,13,16)
InChIKeyYEHSHNHZUSXLRH-UHFFFAOYSA-N
XLogP1.22
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-N-(4-methylphenyl)acetamide
CID 113123942
ethane;N-ethyl-N-(4-methylphenyl)acetamide
CID 143607666
2-(N-(3-amino-3-oxopropyl)-4-methylanilino)acetic acid
CID 60839570
3-(N-[(2-amino-2-oxoethyl)-methylcarbamoyl]-4-methylanilino)propanoic acid
CID 61199181
3-(N-(2-aminoacetyl)-4-methylanilino)propanoic acid
CID 61161445
3-(N-acetyl-4-methylanilino)-N-benzyl-N-ethylpropanamide
CID 113123957
methyl 4-[acetyl-[3-(4-methylanilino)-3-oxopropyl]amino]benzoate
CID 113131524
3-amino-N-(3-amino-3-oxopropyl)-N-phenylpropanamide
CID 119275160
3-(N-acetyl-4-methoxyanilino)-N-[(4-methylphenyl)methyl]propanamide
CID 113129069
3-(N-acetyl-4-fluoroanilino)-N-(3,5-dimethylphenyl)propanamide
CID 113126915
3-(N-acetyl-3,4-dimethylanilino)-N-(4-methylphenyl)propanamide
CID 113124546
N-[2-(N-acetyl-4-methylanilino)ethyl]-3-methylbutanamide
CID 113057534

Frequently Asked Questions

What is the IUPAC name of 3-(N-acetyl-4-methylanilino)propanamide?
The IUPAC name of 3-(N-acetyl-4-methylanilino)propanamide (CID 21238865) is 3-(N-acetyl-4-methylanilino)propanamide.
What is the SMILES notation for 3-(N-acetyl-4-methylanilino)propanamide?
The canonical SMILES for 3-(N-acetyl-4-methylanilino)propanamide is CC(=O)N(CCC(N)=O)c1ccc(C)cc1.
What is the InChIKey of 3-(N-acetyl-4-methylanilino)propanamide?
The InChIKey is YEHSHNHZUSXLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-3-5-11(6-4-9)14(10(2)15)8-7-12(13)16/h3-6H,7-8H2,1-2H3,(H2,13,16).
What are the key properties of 3-(N-acetyl-4-methylanilino)propanamide?
3-(N-acetyl-4-methylanilino)propanamide has a molecular weight of 220.27 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-acetyl-4-methylanilino)propanamide is sourced from PubChem (CID 21238865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).