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

C19H24N2O3 — CID 111453275

IUPAC1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCCOc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3/c1-3-24-18-10-9-16(13-14(18)2)20-19(23)21-17(11-12-22)15-7-5-4-6-8-15/h4-10,13,17,22H,3,11-12H2,1-2H3,(H2,20,21,23)/t17-/m1/s1
InChIKeyWODHGNASNQDGHC-QGZVFWFLSA-N
MW328.41 g/mol
LogP3.64
Rot. Bonds7

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

1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (PubChem CID 111453275) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.

Molecular Properties

Compound Name1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
PubChem CID111453275
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
SMILESCCOc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1C
InChIInChI=1S/C19H24N2O3/c1-3-24-18-10-9-16(13-14(18)2)20-19(23)21-17(11-12-22)15-7-5-4-6-8-15/h4-10,13,17,22H,3,11-12H2,1-2H3,(H2,20,21,23)/t17-/m1/s1
InChIKeyWODHGNASNQDGHC-QGZVFWFLSA-N
XLogP3.64
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxy-3-methylphenyl)-3-(4-hydroxy-1-phenylbutyl)urea
CID 111453271
1-(4-ethoxy-3-methylphenyl)-3-[(1S)-2-hydroxy-1-phenylethyl]urea
CID 111103703
1-(4-ethoxy-3-methylphenyl)-3-propan-2-ylurea
CID 47417327
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-(4-methylphenyl)urea
CID 111450296
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-phenylurea
CID 111450283
1-(3-bromophenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452513
1-(4-chloro-2-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea
CID 111452600
1-(4-ethoxyphenyl)-3-[(1S)-1-phenylpropyl]urea
CID 40635808
1-(4-hydroxy-1-phenylbutyl)-3-(3-methylphenyl)urea
CID 111450235
ethyl 2-(4-ethoxy-3-methylanilino)-2-oxoacetate
CID 115141822
2-[(3,4-diethoxyphenyl)carbamoylamino]propanoic acid
CID 61186187
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-pyridin-2-ylurea
CID 111450280

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The IUPAC name of 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea (CID 111453275) is 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea.
What is the SMILES notation for 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The canonical SMILES for 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea is CCOc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1C.
What is the InChIKey of 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
The InChIKey is WODHGNASNQDGHC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-3-24-18-10-9-16(13-14(18)2)20-19(23)21-17(11-12-22)15-7-5-4-6-8-15/h4-10,13,17,22H,3,11-12H2,1-2H3,(H2,20,21,23)/t17-/m1/s1.
What are the key properties of 1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea?
1-(4-ethoxy-3-methylphenyl)-3-[(1R)-3-hydroxy-1-phenylpropyl]urea has a molecular weight of 328.41 g/mol, XLogP of 3.64, 7 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-[(1R)-3-hydroxy-1-phenylpropyl]urea is sourced from PubChem (CID 111453275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).