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

C24H30N2O2 — CID 42697663

IUPAC1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
SMILESCOc1ccccc1NC(=O)N(C/C(C)=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H30N2O2/c1-19(17-20-11-5-3-6-12-20)18-26(21-13-7-4-8-14-21)24(27)25-22-15-9-10-16-23(22)28-2/h3,5-6,9-12,15-17,21H,4,7-8,13-14,18H2,1-2H3,(H,25,27)/b19-17+
InChIKeyXMOXDYQZCNBFSG-HTXNQAPBSA-N
MW378.52 g/mol
LogP5.97
Rot. Bonds6

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

1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea (PubChem CID 42697663) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
PubChem CID42697663
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Name1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
SMILESCOc1ccccc1NC(=O)N(C/C(C)=C/c1ccccc1)C1CCCCC1
InChIInChI=1S/C24H30N2O2/c1-19(17-20-11-5-3-6-12-20)18-26(21-13-7-4-8-14-21)24(27)25-22-15-9-10-16-23(22)28-2/h3,5-6,9-12,15-17,21H,4,7-8,13-14,18H2,1-2H3,(H,25,27)/b19-17+
InChIKeyXMOXDYQZCNBFSG-HTXNQAPBSA-N
XLogP5.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.52
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-(4-methylphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42697658
N-cyclohexyl-N-[(E)-2-methyl-3-phenylprop-2-enyl]butanamide
CID 42697539
1-cyclohexyl-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 42697656
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 42698044
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 7356916
2-[cycloheptyl(methylsulfonyl)amino]-N-(2-methoxyphenyl)acetamide
CID 113153135
1-[[1-[(2-chlorophenyl)methyl]pyrrol-2-yl]methyl]-1-cyclohexyl-3-(2-methoxyphenyl)urea
CID 5014615
N-cyclohexyl-N-ethyl-2-(2-methoxyanilino)acetamide
CID 78782325
methyl 2-[cyclopentyl(phenylcarbamoyl)amino]acetate
CID 115536075
1-cyclohexyl-1-[(2R)-2-hydroxypropyl]-3-(2-propan-2-yloxyphenyl)urea
CID 97261269
2-[cyclohexyl(methyl)amino]-N-(2-phenoxyphenyl)acetamide
CID 46800677
2-cyclohexyl-N-(2-methoxyphenyl)acetamide
CID 880879

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea (CID 42697663) is 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea is COc1ccccc1NC(=O)N(C/C(C)=C/c1ccccc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
The InChIKey is XMOXDYQZCNBFSG-HTXNQAPBSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-19(17-20-11-5-3-6-12-20)18-26(21-13-7-4-8-14-21)24(27)25-22-15-9-10-16-23(22)28-2/h3,5-6,9-12,15-17,21H,4,7-8,13-14,18H2,1-2H3,(H,25,27)/b19-17+.
What are the key properties of 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea?
1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea has a molecular weight of 378.52 g/mol, XLogP of 5.97, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(2-methoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42697663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).