1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea

C13H20N2O3 — CID 111428407

IUPAC1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O3/c1-10(9-16)15-13(18)14-8-2-3-11-4-6-12(17)7-5-11/h4-7,10,16-17H,2-3,8-9H2,1H3,(H2,14,15,18)
InChIKeyXBPSDXMXFUEYIG-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.00
Rot. Bonds6

About 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea

1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea (PubChem CID 111428407) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea.

Molecular Properties

Compound Name1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
PubChem CID111428407
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
SMILESCC(CO)NC(=O)NCCCc1ccc(O)cc1
InChIInChI=1S/C13H20N2O3/c1-10(9-16)15-13(18)14-8-2-3-11-4-6-12(17)7-5-11/h4-7,10,16-17H,2-3,8-9H2,1H3,(H2,14,15,18)
InChIKeyXBPSDXMXFUEYIG-UHFFFAOYSA-N
XLogP1.00
TPSA81.59 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxyethyl)-3-[1-(4-hydroxyphenyl)propan-2-yl]urea
CID 110903976
1-[3-(4-hydroxyphenyl)propyl]-3-(3-methyl-3-phenylbutan-2-yl)urea
CID 86973264
1-[1-(2-chlorophenyl)ethyl]-3-[3-(4-hydroxyphenyl)propyl]urea
CID 86973181
1-[3-(4-hydroxyphenyl)propyl]-3-tridecylurea
CID 19597044
1-[3-(4-hydroxyphenyl)propyl]-3-tetradecylurea
CID 19597070
1-hexadecyl-3-[3-(4-hydroxyphenyl)propyl]urea
CID 19597093
1-[3-(2,4-dichlorophenyl)propyl]-3-(1-hydroxypropan-2-yl)urea
CID 111566614
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 34708595
1-(2-hydroxy-3,3-dimethylbutyl)-3-[3-(4-hydroxyphenyl)propyl]urea
CID 111428404
1-[1-(4-hydroxyphenyl)propan-2-yl]-3-[2-(4-methoxyphenyl)ethyl]urea
CID 60577862
1-decyl-3-[10-(4-hydroxyphenyl)decyl]urea
CID 18183954
4-[3-(prop-1-en-2-ylamino)propyl]phenol
CID 170569538

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
The IUPAC name of 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea (CID 111428407) is 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea.
What is the SMILES notation for 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
The canonical SMILES for 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea is CC(CO)NC(=O)NCCCc1ccc(O)cc1.
What is the InChIKey of 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
The InChIKey is XBPSDXMXFUEYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(9-16)15-13(18)14-8-2-3-11-4-6-12(17)7-5-11/h4-7,10,16-17H,2-3,8-9H2,1H3,(H2,14,15,18).
What are the key properties of 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea?
1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea has a molecular weight of 252.31 g/mol, XLogP of 1.00, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-hydroxyphenyl)propyl]-3-(1-hydroxypropan-2-yl)urea is sourced from PubChem (CID 111428407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).