1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea

C12H16N2O3 — CID 47032107

IUPAC1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)CO)c1
InChIInChI=1S/C12H16N2O3/c1-8(7-15)13-12(17)14-11-5-3-4-10(6-11)9(2)16/h3-6,8,15H,7H2,1-2H3,(H2,13,14,17)
InChIKeyGXUIWHVVKXHSHA-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.39
Rot. Bonds4

About 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea

1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea (PubChem CID 47032107) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
PubChem CID47032107
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea
SMILESCC(=O)c1cccc(NC(=O)NC(C)CO)c1
InChIInChI=1S/C12H16N2O3/c1-8(7-15)13-12(17)14-11-5-3-4-10(6-11)9(2)16/h3-6,8,15H,7H2,1-2H3,(H2,13,14,17)
InChIKeyGXUIWHVVKXHSHA-UHFFFAOYSA-N
XLogP1.39
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-acetylphenyl)-3-(1,3-dihydroxypropan-2-yl)urea
CID 65312663
1-(3-acetylphenyl)-3-(1-cyanopropan-2-yl)urea
CID 62093530
1-(3-acetylphenyl)-3-[(2R)-3-hydroxy-2-methylpropyl]urea
CID 94819199
1-(3-cyanophenyl)-3-[(2S)-1-hydroxypropan-2-yl]urea
CID 79023685
(2S)-2-[(3-acetylphenyl)carbamoylamino]-N-phenylpropanamide
CID 95325032
3-(5-methylhexan-2-ylcarbamoylamino)benzoic acid
CID 63925725
1-[(2R)-1-hydroxypropan-2-yl]-3-[3-(trifluoromethoxy)phenyl]urea
CID 94818397
1-(3-acetylphenyl)-3-[(1S)-2-hydroxy-1-(4-methoxyphenyl)ethyl]urea
CID 95289623
1-(3,4-dimethylphenyl)-3-(1-hydroxypropan-2-yl)urea
CID 110890307
(2R)-2-[[2-(3-acetylanilino)-2-oxoethyl]amino]propanoic acid
CID 83194431
3-[(3-acetylphenyl)carbamoylamino]-N-propan-2-ylpropanamide
CID 115581776
1-(3,4-dichlorophenyl)-3-(1-hydroxypropan-2-yl)urea
CID 43417317

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea (CID 47032107) is 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea is CC(=O)c1cccc(NC(=O)NC(C)CO)c1.
What is the InChIKey of 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is GXUIWHVVKXHSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8(7-15)13-12(17)14-11-5-3-4-10(6-11)9(2)16/h3-6,8,15H,7H2,1-2H3,(H2,13,14,17).
What are the key properties of 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea?
1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 236.27 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylphenyl)-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 47032107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).