1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea

C19H24N2O3 — CID 111335622

IUPAC1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O3/c1-4-24-16-10-11-17(14(2)12-16)21-18(22)20-13-19(3,23)15-8-6-5-7-9-15/h5-12,23H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyCBKUQFPSXVFDIE-UHFFFAOYSA-N
MW328.41 g/mol
LogP3.42
Rot. Bonds6

About 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea

1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea (PubChem CID 111335622) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea.

Molecular Properties

Compound Name1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
PubChem CID111335622
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea
SMILESCCOc1ccc(NC(=O)NCC(C)(O)c2ccccc2)c(C)c1
InChIInChI=1S/C19H24N2O3/c1-4-24-16-10-11-17(14(2)12-16)21-18(22)20-13-19(3,23)15-8-6-5-7-9-15/h5-12,23H,4,13H2,1-3H3,(H2,20,21,22)
InChIKeyCBKUQFPSXVFDIE-UHFFFAOYSA-N
XLogP3.42
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-butoxy-2-methylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122077403
3-hydroxy-N-(2-methyl-4-propoxyphenyl)-3-phenylbutanamide
CID 110024948
N-benzyl-N'-(4-ethoxy-2-methylphenyl)oxamide
CID 86827079
1-(2,4-dimethoxyphenyl)-3-[2-hydroxy-2-(4-phenylphenyl)propyl]urea
CID 90497665
2-bromo-N-(4-ethoxy-2-methylphenyl)propanamide
CID 107904117
N-(4-ethoxy-2-methylphenyl)-2-methoxypropanamide
CID 47312187
2-chloro-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60933889
1-(2-hydroxyethyl)-3-(2-methyl-4-phenylmethoxyphenyl)urea
CID 111424849
1-(2-cyclopropyl-1-hydroxypropan-2-yl)-3-(4-ethoxy-2-methylphenyl)urea
CID 111976325
2-amino-N-(4-ethoxy-2-methylphenyl)propanamide;hydrochloride
CID 119298449
3-(tert-butylamino)-N-(4-ethoxy-2-methylphenyl)propanamide
CID 60928405
2-[3-methyl-4-[(3-methyl-3-phenylbutanoyl)amino]phenoxy]acetic acid
CID 119231879

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The IUPAC name of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea (CID 111335622) is 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea.
What is the SMILES notation for 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The canonical SMILES for 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea is CCOc1ccc(NC(=O)NCC(C)(O)c2ccccc2)c(C)c1.
What is the InChIKey of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
The InChIKey is CBKUQFPSXVFDIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-4-24-16-10-11-17(14(2)12-16)21-18(22)20-13-19(3,23)15-8-6-5-7-9-15/h5-12,23H,4,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea?
1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea has a molecular weight of 328.41 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-2-methylphenyl)-3-(2-hydroxy-2-phenylpropyl)urea is sourced from PubChem (CID 111335622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).