1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

C18H22N2O3 — CID 111116760

IUPAC1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCCc1ccc(NC(=O)NCC(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-13-7-9-15(10-8-13)20-18(22)19-12-17(21)14-5-4-6-16(11-14)23-2/h4-11,17,21H,3,12H2,1-2H3,(H2,19,20,22)
InChIKeyPXMWVJARKPGXGY-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.11
Rot. Bonds6

About 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea

1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (PubChem CID 111116760) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
PubChem CID111116760
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
SMILESCCc1ccc(NC(=O)NCC(O)c2cccc(OC)c2)cc1
InChIInChI=1S/C18H22N2O3/c1-3-13-7-9-15(10-8-13)20-18(22)19-12-17(21)14-5-4-6-16(11-14)23-2/h4-11,17,21H,3,12H2,1-2H3,(H2,19,20,22)
InChIKeyPXMWVJARKPGXGY-UHFFFAOYSA-N
XLogP3.11
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylphenyl)urea
CID 111115027
1-(3-chloro-4-fluorophenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116754
1-(2,6-dimethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116787
methyl N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamate
CID 110663358
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(3-methylpentan-2-yl)urea
CID 111115210
1-(2-tert-butylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111116768
1-[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]-3-(3,5-dimethoxyphenyl)urea
CID 51944524
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]butanamide
CID 112510090
1-(cyclopropylmethyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea
CID 111115133
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-2-(4-methylphenyl)acetamide
CID 110663377
1-amino-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]cyclopropane-1-carboxamide
CID 119765478
1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-3-(4-methylpentyl)urea
CID 111115159

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The IUPAC name of 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea (CID 111116760) is 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The canonical SMILES for 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is CCc1ccc(NC(=O)NCC(O)c2cccc(OC)c2)cc1.
What is the InChIKey of 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
The InChIKey is PXMWVJARKPGXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-13-7-9-15(10-8-13)20-18(22)19-12-17(21)14-5-4-6-16(11-14)23-2/h4-11,17,21H,3,12H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea?
1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.11, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylphenyl)-3-[2-hydroxy-2-(3-methoxyphenyl)ethyl]urea is sourced from PubChem (CID 111116760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).