1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea

C17H20N2O2 — CID 111450296

IUPAC1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-7-9-15(10-8-13)18-17(21)19-16(11-12-20)14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H2,18,19,21)/t16-/m1/s1
InChIKeyPDKLTZLLPSWNCZ-MRXNPFEDSA-N
MW284.36 g/mol
LogP3.24
Rot. Bonds5

About 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea (PubChem CID 111450296) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea.

Molecular Properties

Compound Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
PubChem CID111450296
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
SMILESCc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1
InChIInChI=1S/C17H20N2O2/c1-13-7-9-15(10-8-13)18-17(21)19-16(11-12-20)14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H2,18,19,21)/t16-/m1/s1
InChIKeyPDKLTZLLPSWNCZ-MRXNPFEDSA-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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Related Compounds

1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(2-methylimidazo[1,2-a]pyridin-6-yl)urea
CID 75422075
(3S)-N,N-dimethyl-3-[(4-methylphenyl)carbamoylamino]-3-phenylpropanamide
CID 94782001
N'-[(1S)-3-hydroxy-1-(4-methylphenyl)propyl]-N-(4-methylphenyl)propanediamide
CID 95128017
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111453275
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
N-(4-chlorophenyl)-N'-[(1R)-3-hydroxy-1-phenylpropyl]oxamide
CID 97014806
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
1-(4-bromophenyl)-3-(2-hydroxy-1-phenylethyl)urea
CID 71655407
1-(4-hydroxybutan-2-yl)-3-phenylurea
CID 78998445
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea?
The IUPAC name of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea (CID 111450296) is 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea.
What is the SMILES notation for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea?
The canonical SMILES for 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea is Cc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1.
What is the InChIKey of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea?
The InChIKey is PDKLTZLLPSWNCZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13-7-9-15(10-8-13)18-17(21)19-16(11-12-20)14-5-3-2-4-6-14/h2-10,16,20H,11-12H2,1H3,(H2,18,19,21)/t16-/m1/s1.
What are the key properties of 1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea?
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-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-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea is sourced from PubChem (CID 111450296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).