1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea

C18H22N2O3 — CID 111103703

IUPAC1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCCOc1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O3/c1-3-23-17-10-9-15(11-13(17)2)19-18(22)20-16(12-21)14-7-5-4-6-8-14/h4-11,16,21H,3,12H2,1-2H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyVHNMSSJOLANBHC-MRXNPFEDSA-N
MW314.39 g/mol
LogP3.25
Rot. Bonds6

About 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea

1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea (PubChem CID 111103703) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
PubChem CID111103703
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
SMILESCCOc1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1C
InChIInChI=1S/C18H22N2O3/c1-3-23-17-10-9-15(11-13(17)2)19-18(22)20-16(12-21)14-7-5-4-6-8-14/h4-11,16,21H,3,12H2,1-2H3,(H2,19,20,22)/t16-/m1/s1
InChIKeyVHNMSSJOLANBHC-MRXNPFEDSA-N
XLogP3.25
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 ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-(3-fluoro-4-methoxyphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110895751
1-(3-fluoro-4-methylsulfanylphenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 111475376
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
1-(2-hydroxy-1-phenylethyl)-3-(4-methyl-2-pyridinyl)urea
CID 75503769
1-(2-hydroxy-1-phenylethyl)-3-(3-methylsulfanylphenyl)urea
CID 72688100
3-amino-4-(4-ethoxy-3-methylanilino)-4-oxobutanoic acid
CID 115181227
2,2,2-trichloro-N-(4-ethoxy-3-methylphenyl)acetamide
CID 100689633

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea (CID 111103703) is 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea is CCOc1ccc(NC(=O)N[C@H](CO)c2ccccc2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
The InChIKey is VHNMSSJOLANBHC-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-17-10-9-15(11-13(17)2)19-18(22)20-16(12-21)14-7-5-4-6-8-14/h4-11,16,21H,3,12H2,1-2H3,(H2,19,20,22)/t16-/m1/s1.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea?
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea has a molecular weight of 314.39 g/mol, XLogP of 3.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea is sourced from PubChem (CID 111103703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).