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

C17H20N2O3 — CID 95157706

IUPAC1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
SMILESCCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-22-15-10-8-14(9-11-15)19-17(21)18-12-16(20)13-6-4-3-5-7-13/h3-11,16,20H,2,12H2,1H3,(H2,18,19,21)/t16-/m1/s1
InChIKeyBFGWKFAMBCWLTR-MRXNPFEDSA-N
MW300.36 g/mol
LogP2.94
Rot. Bonds6

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

1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea (PubChem CID 95157706) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
PubChem CID95157706
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea
SMILESCCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O3/c1-2-22-15-10-8-14(9-11-15)19-17(21)18-12-16(20)13-6-4-3-5-7-13/h3-11,16,20H,2,12H2,1H3,(H2,18,19,21)/t16-/m1/s1
InChIKeyBFGWKFAMBCWLTR-MRXNPFEDSA-N
XLogP2.94
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-ethoxyphenyl)carbamoylamino]-2-hydroxypropanoic acid
CID 66167760
1-(4-chlorophenyl)-3-(2-hydroxy-2-phenylethyl)urea
CID 15933957
1-[2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-3-(4-ethoxyphenyl)urea
CID 121179687
1-(2,2-dimethoxyethyl)-3-(4-ethoxyphenyl)urea
CID 3823271
1-(4-ethoxyphenyl)-3-(2-hydroxy-4-methylpentyl)urea
CID 111430929
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
2-(4-ethoxyphenyl)sulfanyl-N-(2-hydroxy-2-phenylethyl)acetamide
CID 55376080
1-(4-ethoxyphenyl)-3-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]urea
CID 95367109
1-[(2S)-2-hydroxy-2-phenylethyl]-3-(6-methoxy-3-pyridinyl)urea
CID 94028409
2-[(4-ethoxyphenyl)carbamoylamino]acetic acid
CID 12856017
N-ethyl-2-[4-[(2-hydroxy-2-phenylethyl)carbamoylamino]phenyl]-N-phenylacetamide
CID 112838540
N'-(4-ethoxyphenyl)-N-[(2R)-2-phenylpropyl]oxamide
CID 40977164

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea (CID 95157706) is 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea is CCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
The InChIKey is BFGWKFAMBCWLTR-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-15-10-8-14(9-11-15)19-17(21)18-12-16(20)13-6-4-3-5-7-13/h3-11,16,20H,2,12H2,1H3,(H2,18,19,21)/t16-/m1/s1.
What are the key properties of 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea?
1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea has a molecular weight of 300.36 g/mol, XLogP of 2.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[(2S)-2-hydroxy-2-phenylethyl]urea is sourced from PubChem (CID 95157706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).