1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea

C17H20N2O2 — CID 97038667

IUPAC1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-6-5-9-15(12-13)19-17(21)18-11-10-16(20)14-7-3-2-4-8-14/h2-9,12,16,20H,10-11H2,1H3,(H2,18,19,21)/t16-/m0/s1
InChIKeyWZZJSRLJUSMBAZ-INIZCTEOSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds5

About 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea

1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea (PubChem CID 97038667) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea.

Molecular Properties

Compound Name1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea
PubChem CID97038667
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea
SMILESCc1cccc(NC(=O)NCC[C@H](O)c2ccccc2)c1
InChIInChI=1S/C17H20N2O2/c1-13-6-5-9-15(12-13)19-17(21)18-11-10-16(20)14-7-3-2-4-8-14/h2-9,12,16,20H,10-11H2,1H3,(H2,18,19,21)/t16-/m0/s1
InChIKeyWZZJSRLJUSMBAZ-INIZCTEOSA-N
XLogP3.24
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea?
The IUPAC name of 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea (CID 97038667) is 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea.
What is the SMILES notation for 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea?
The canonical SMILES for 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea is Cc1cccc(NC(=O)NCC[C@H](O)c2ccccc2)c1.
What is the InChIKey of 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea?
The InChIKey is WZZJSRLJUSMBAZ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-6-5-9-15(12-13)19-17(21)18-11-10-16(20)14-7-3-2-4-8-14/h2-9,12,16,20H,10-11H2,1H3,(H2,18,19,21)/t16-/m0/s1.
What are the key properties of 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea?
1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea has a molecular weight of 284.36 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-hydroxy-3-phenylpropyl]-3-(3-methylphenyl)urea is sourced from PubChem (CID 97038667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).