N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide

C12H15NO3 — CID 3312295

IUPACN-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
SMILESCCC(=O)NC(O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3/c1-3-10(14)13-12(16)11(15)9-6-4-8(2)5-7-9/h4-7,12,16H,3H2,1-2H3,(H,13,14)
InChIKeyGNBXQOLVWAOSHO-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.02
Rot. Bonds4

About N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide

N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide (PubChem CID 3312295) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide.

Molecular Properties

Compound NameN-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
PubChem CID3312295
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC NameN-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide
SMILESCCC(=O)NC(O)C(=O)c1ccc(C)cc1
InChIInChI=1S/C12H15NO3/c1-3-10(14)13-12(16)11(15)9-6-4-8(2)5-7-9/h4-7,12,16H,3H2,1-2H3,(H,13,14)
InChIKeyGNBXQOLVWAOSHO-UHFFFAOYSA-N
XLogP1.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-N-[2-(4-fluorophenyl)-1-hydroxy-2-oxoethyl]benzamide
CID 3101991
4-fluoro-N-(1-hydroxy-2-oxo-2-phenylethyl)benzamide
CID 3583645
N-(1-hydroxy-2-oxo-2-phenylethyl)acetamide
CID 2830273
N-(1-Hydroxy-2-oxo-2-phenyl-ethyl)-benzamide
CID 2830272
[2-(4-Fluoro-phenyl)-1-hydroxy-2-oxo-ethyl]-carbamic acid ethyl ester
CID 3101990
AC1Muzpu
CID 3675221
(Z)-N-[(2S)-1-(4-benzoylphenyl)-3-hydroxypropan-2-yl]octadec-9-enamide
CID 11685022
(E)-N-[(2S)-1-(4-benzoylphenyl)-3-hydroxypropan-2-yl]octadec-9-enamide
CID 44409899
N-(3-Hydroxypropyl)-3-(4-methylbenzoyl)propionamide
CID 3031126
Mephedrone metabolite M6
CID 67477511
(2S)-N-ethyl-2-hydroxy-3-phenylpropanamide
CID 13215109
Methyl (1-hydroxy-2-oxo-2-phenylethyl)carbamate
CID 2834556

Frequently Asked Questions

What is the IUPAC name of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide?
The IUPAC name of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide (CID 3312295) is N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide.
What is the SMILES notation for N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide?
The canonical SMILES for N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide is CCC(=O)NC(O)C(=O)c1ccc(C)cc1.
What is the InChIKey of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide?
The InChIKey is GNBXQOLVWAOSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO3/c1-3-10(14)13-12(16)11(15)9-6-4-8(2)5-7-9/h4-7,12,16H,3H2,1-2H3,(H,13,14).
What are the key properties of N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide?
N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide has a molecular weight of 221.26 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-hydroxy-2-(4-methylphenyl)-2-oxoethyl]propanamide is sourced from PubChem (CID 3312295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).