1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea

C12H16N2O4 — CID 66175411

IUPAC1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCC(O)CO)cc1
InChIInChI=1S/C12H16N2O4/c1-8(16)9-2-4-10(5-3-9)14-12(18)13-6-11(17)7-15/h2-5,11,15,17H,6-7H2,1H3,(H2,13,14,18)
InChIKeyKIIVWDQHTWEWPQ-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.36
Rot. Bonds5

About 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea

1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea (PubChem CID 66175411) has the molecular formula C12H16N2O4 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea.

Molecular Properties

Compound Name1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
PubChem CID66175411
Molecular FormulaC12H16N2O4
Molecular Weight252.27 g/mol
Exact Mass252.11
IUPAC Name1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
SMILESCC(=O)c1ccc(NC(=O)NCC(O)CO)cc1
InChIInChI=1S/C12H16N2O4/c1-8(16)9-2-4-10(5-3-9)14-12(18)13-6-11(17)7-15/h2-5,11,15,17H,6-7H2,1H3,(H2,13,14,18)
InChIKeyKIIVWDQHTWEWPQ-UHFFFAOYSA-N
XLogP0.36
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
CID 3712236
3-[(4-acetylphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66166879
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
1-(4-acetylphenyl)-3-[2-(2-hydroxyethyl)pentyl]urea
CID 103709881
1-(4-acetylphenyl)-3-[2-(3-chlorophenyl)-2-hydroxyethyl]urea
CID 42960513
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-(4-acetylphenyl)-3-(methoxymethyl)urea
CID 110676030
methyl 2-[(4-acetylphenyl)carbamoylamino]acetate
CID 39733012
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide
CID 153358046
5-acetyl-1-N,3-N-bis(2,3-dihydroxypropyl)benzene-1,3-dicarboxamide;ethane
CID 153358045
4-(2-methylpropylcarbamoylamino)benzoic acid
CID 39732866

Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea?
The IUPAC name of 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea (CID 66175411) is 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea.
What is the SMILES notation for 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea?
The canonical SMILES for 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea is CC(=O)c1ccc(NC(=O)NCC(O)CO)cc1.
What is the InChIKey of 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea?
The InChIKey is KIIVWDQHTWEWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O4/c1-8(16)9-2-4-10(5-3-9)14-12(18)13-6-11(17)7-15/h2-5,11,15,17H,6-7H2,1H3,(H2,13,14,18).
What are the key properties of 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea?
1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea has a molecular weight of 252.27 g/mol, XLogP of 0.36, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea is sourced from PubChem (CID 66175411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).