1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea

C20H23N3O2 — CID 20782268

IUPAC1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCC(=NO)CC1
InChIInChI=1S/C20H23N3O2/c1-23(19-13-11-18(22-25)12-14-19)20(24)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,19,25H,11-14H2,1H3,(H,21,24)/b22-18-
InChIKeyVREQPEQSHLSZHX-PYCFMQQDSA-N
MW337.42 g/mol
LogP4.59
Rot. Bonds3

About 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea

1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea (PubChem CID 20782268) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea.

Molecular Properties

Compound Name1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
PubChem CID20782268
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea
SMILESCN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCC(=NO)CC1
InChIInChI=1S/C20H23N3O2/c1-23(19-13-11-18(22-25)12-14-19)20(24)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,19,25H,11-14H2,1H3,(H,21,24)/b22-18-
InChIKeyVREQPEQSHLSZHX-PYCFMQQDSA-N
XLogP4.59
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea?
The IUPAC name of 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea (CID 20782268) is 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea.
What is the SMILES notation for 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea?
The canonical SMILES for 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea is CN(C(=O)Nc1ccc(-c2ccccc2)cc1)C1CCC(=NO)CC1.
What is the InChIKey of 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea?
The InChIKey is VREQPEQSHLSZHX-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23(19-13-11-18(22-25)12-14-19)20(24)21-17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-10,19,25H,11-14H2,1H3,(H,21,24)/b22-18-.
What are the key properties of 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea?
1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea has a molecular weight of 337.42 g/mol, XLogP of 4.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxyiminocyclohexyl)-1-methyl-3-(4-phenylphenyl)urea is sourced from PubChem (CID 20782268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).