1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

C19H22N2O3 — CID 97063566

IUPAC1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1C
InChIInChI=1S/C19H22N2O3/c1-13-10-16(8-9-18(13)14(2)23)20-19(24)21-17(12-22)11-15-6-4-3-5-7-15/h3-10,17,22H,11-12H2,1-2H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyBAROPRIUSRIOQD-KRWDZBQOSA-N
MW326.40 g/mol
LogP2.92
Rot. Bonds6

About 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea

1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (PubChem CID 97063566) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.

Molecular Properties

Compound Name1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
PubChem CID97063566
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC Name1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
SMILESCC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1C
InChIInChI=1S/C19H22N2O3/c1-13-10-16(8-9-18(13)14(2)23)20-19(24)21-17(12-22)11-15-6-4-3-5-7-15/h3-10,17,22H,11-12H2,1-2H3,(H2,20,21,24)/t17-/m0/s1
InChIKeyBAROPRIUSRIOQD-KRWDZBQOSA-N
XLogP2.92
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-acetyl-3-methylphenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088165
1-(4-acetyl-3-chlorophenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99703684
1,3-bis(1-hydroxy-3-phenylpropan-2-yl)urea
CID 22088923
N'-(4-acetyl-3-methylphenyl)-N-phenyloxamide
CID 99702239
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(4-pyridin-4-ylphenyl)urea
CID 70681396
(2S)-2-[(3,4-dimethylphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 943707
1-(3-cyano-4-fluorophenyl)-3-[(2R)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 95980553
1-[(2S)-1-hydroxy-3-phenylpropan-2-yl]-3-(1H-indazol-5-yl)urea
CID 70689793
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
4-[(3-methyl-4-nitrophenyl)carbamoylamino]-5-phenylpentanoic acid
CID 122088999
1-(2,6-dimethyl-3-pyridinyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea
CID 99702199
1-(3,4-dimethylphenyl)-3-(1-hydroxybutan-2-yl)urea
CID 108894071

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The IUPAC name of 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea (CID 97063566) is 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea.
What is the SMILES notation for 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The canonical SMILES for 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is CC(=O)c1ccc(NC(=O)N[C@H](CO)Cc2ccccc2)cc1C.
What is the InChIKey of 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
The InChIKey is BAROPRIUSRIOQD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-13-10-16(8-9-18(13)14(2)23)20-19(24)21-17(12-22)11-15-6-4-3-5-7-15/h3-10,17,22H,11-12H2,1-2H3,(H2,20,21,24)/t17-/m0/s1.
What are the key properties of 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea?
1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea has a molecular weight of 326.40 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetyl-3-methylphenyl)-3-[(2S)-1-hydroxy-3-phenylpropan-2-yl]urea is sourced from PubChem (CID 97063566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).