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

C11H16N2O3 — CID 3712236

IUPAC1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(O)CO)cc1
InChIInChI=1S/C11H16N2O3/c1-8-2-4-9(5-3-8)13-11(16)12-6-10(15)7-14/h2-5,10,14-15H,6-7H2,1H3,(H2,12,13,16)
InChIKeyPETFLKMXTYLXFH-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.47
Rot. Bonds4

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

1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea (PubChem CID 3712236) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
PubChem CID3712236
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)NCC(O)CO)cc1
InChIInChI=1S/C11H16N2O3/c1-8-2-4-9(5-3-8)13-11(16)12-6-10(15)7-14/h2-5,10,14-15H,6-7H2,1H3,(H2,12,13,16)
InChIKeyPETFLKMXTYLXFH-UHFFFAOYSA-N
XLogP0.47
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-acetylphenyl)-3-(2,3-dihydroxypropyl)urea
CID 66175411
1-(3,4-dichlorophenyl)-3-[(2S)-2,3-dihydroxypropyl]urea
CID 40653606
1-(3,4-dichlorophenyl)-3-(2,3-dihydroxypropyl)urea
CID 3712239
1-[(2R)-2-hydroxy-3-(2-oxopyrrolidin-1-yl)propyl]-3-(4-methylphenyl)urea
CID 94783682
1-(2-ethoxypropyl)-3-(4-methylphenyl)urea
CID 121261528
1-(2-amino-3-ethylpentyl)-3-(4-methylphenyl)urea
CID 106286600
1-(4-acetylphenyl)-3-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]urea
CID 38283937
1-(2-amino-4,4-dimethylpentyl)-3-(4-methylphenyl)urea
CID 107158914
1-[(2S)-2-(2-fluorophenyl)-2-hydroxyethyl]-3-(4-methylphenyl)urea
CID 51939745
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
2-[(4-methylphenyl)carbamoylamino]-N-(2-methylpropyl)acetamide
CID 134003780
1-[2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]-3-(4-methylphenyl)urea
CID 90496420

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea?
The IUPAC name of 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea (CID 3712236) is 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea?
The canonical SMILES for 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)NCC(O)CO)cc1.
What is the InChIKey of 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea?
The InChIKey is PETFLKMXTYLXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-8-2-4-9(5-3-8)13-11(16)12-6-10(15)7-14/h2-5,10,14-15H,6-7H2,1H3,(H2,12,13,16).
What are the key properties of 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea?
1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea has a molecular weight of 224.26 g/mol, XLogP of 0.47, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroxypropyl)-3-(4-methylphenyl)urea is sourced from PubChem (CID 3712236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).