1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea

C24H30N2O — CID 42697658

IUPAC1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
SMILESC/C(=C\c1ccccc1)CN(C(=O)Nc1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C24H30N2O/c1-19-13-15-22(16-14-19)25-24(27)26(23-11-7-4-8-12-23)18-20(2)17-21-9-5-3-6-10-21/h3,5-6,9-10,13-17,23H,4,7-8,11-12,18H2,1-2H3,(H,25,27)/b20-17+
InChIKeyBZJUHRBINRVINX-LVZFUZTISA-N
MW362.52 g/mol
LogP6.27
Rot. Bonds5

About 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea

1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea (PubChem CID 42697658) has the molecular formula C24H30N2O and a molecular weight of 362.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
PubChem CID42697658
Molecular FormulaC24H30N2O
Molecular Weight362.52 g/mol
Exact Mass362.24
IUPAC Name1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
SMILESC/C(=C\c1ccccc1)CN(C(=O)Nc1ccc(C)cc1)C1CCCCC1
InChIInChI=1S/C24H30N2O/c1-19-13-15-22(16-14-19)25-24(27)26(23-11-7-4-8-12-23)18-20(2)17-21-9-5-3-6-10-21/h3,5-6,9-10,13-17,23H,4,7-8,11-12,18H2,1-2H3,(H,25,27)/b20-17+
InChIKeyBZJUHRBINRVINX-LVZFUZTISA-N
XLogP6.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.52
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42697656
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697663
N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697539
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
2-[acetyl(cyclopentyl)amino]-N-(4-methylphenyl)acetamide
CID 113159299
N-benzyl-2-[cyclohexyl-[(4-methylphenyl)carbamoyl]amino]-N-(thiophen-2-ylmethyl)acetamide
CID 3602841
1-cyclohexyl-1-[[1-[(4-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-methylphenyl)urea
CID 42762814
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] 2-[cyclohexyl-[(4-methylphenyl)carbamoyl]amino]acetate
CID 42533883
2-[cycloheptyl(methyl)amino]-N-phenylacetamide
CID 16577724
2-[(4-acetylphenyl)carbamoyl-cyclopropylamino]acetic acid
CID 61341696
1-cyclohexyl-1-hydroxy-3-phenylurea
CID 86182203
2-[(3-bromo-4-methylphenyl)carbamoyl-cyclopentylamino]acetic acid
CID 63334919

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea (CID 42697658) is 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea is C/C(=C\c1ccccc1)CN(C(=O)Nc1ccc(C)cc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The InChIKey is BZJUHRBINRVINX-LVZFUZTISA-N. The full InChI is InChI=1S/C24H30N2O/c1-19-13-15-22(16-14-19)25-24(27)26(23-11-7-4-8-12-23)18-20(2)17-21-9-5-3-6-10-21/h3,5-6,9-10,13-17,23H,4,7-8,11-12,18H2,1-2H3,(H,25,27)/b20-17+.
What are the key properties of 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea has a molecular weight of 362.52 g/mol, XLogP of 6.27, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42697658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).