3-acetamido-N-(3-methylphenyl)propanamide

C12H16N2O2 — CID 47097671

IUPAC3-acetamido-N-(3-methylphenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H16N2O2/c1-9-4-3-5-11(8-9)14-12(16)6-7-13-10(2)15/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLRTAJXMTDVCSEX-UHFFFAOYSA-N
MW220.27 g/mol
LogP1.46
Rot. Bonds4

About 3-acetamido-N-(3-methylphenyl)propanamide

3-acetamido-N-(3-methylphenyl)propanamide (PubChem CID 47097671) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3-acetamido-N-(3-methylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-N-(3-methylphenyl)propanamide
PubChem CID47097671
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name3-acetamido-N-(3-methylphenyl)propanamide
SMILESCC(=O)NCCC(=O)Nc1cccc(C)c1
InChIInChI=1S/C12H16N2O2/c1-9-4-3-5-11(8-9)14-12(16)6-7-13-10(2)15/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyLRTAJXMTDVCSEX-UHFFFAOYSA-N
XLogP1.46
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-acetamido-N-phenylpropanamide
CID 7946185
N-(3-methylphenyl)acetamide
CID 10843
3-(4-bromoanilino)-N-(3-methylphenyl)propanamide
CID 109034162
4-hydroxy-N-(3-methylphenyl)butanamide
CID 11367548
N-(3-methylphenyl)-4-oxo-4-phenylbutanamide
CID 7779680
N-(3-acetamidophenyl)-3-bromopropanamide
CID 115571578
3-(4-tert-butylanilino)-N-(3-methylphenyl)propanamide
CID 109034148
5-(carbamoylamino)-N-(3-methylphenyl)pentanamide
CID 9039147
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[3-(3-methylanilino)-3-oxopropyl]propanamide;hydrochloride
CID 154908625
3-methoxy-N-[3-(3-methylanilino)-3-oxopropyl]benzamide
CID 17226085
6-methyl-N-[3-(3-methylanilino)-3-oxopropyl]-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 131935086
N-[3-(3-methylanilino)-3-oxopropyl]-1,2-oxazole-5-carboxamide
CID 131915937

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-N-(3-methylphenyl)propanamide?
The IUPAC name of 3-acetamido-N-(3-methylphenyl)propanamide (CID 47097671) is 3-acetamido-N-(3-methylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-N-(3-methylphenyl)propanamide?
The canonical SMILES for 3-acetamido-N-(3-methylphenyl)propanamide is CC(=O)NCCC(=O)Nc1cccc(C)c1.
What is the InChIKey of 3-acetamido-N-(3-methylphenyl)propanamide?
The InChIKey is LRTAJXMTDVCSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-9-4-3-5-11(8-9)14-12(16)6-7-13-10(2)15/h3-5,8H,6-7H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-acetamido-N-(3-methylphenyl)propanamide?
3-acetamido-N-(3-methylphenyl)propanamide has a molecular weight of 220.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-N-(3-methylphenyl)propanamide is sourced from PubChem (CID 47097671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).