3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea

C30H36N2O2 — CID 42696184

IUPAC3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C30H36N2O2/c1-34-28-19-17-24(18-20-28)23-32(30(33)31-27-15-9-4-10-16-27)22-21-29(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-3,5-8,11-14,17-20,27,29H,4,9-10,15-16,21-23H2,1H3,(H,31,33)
InChIKeyNKHKFFUHLVHTNQ-UHFFFAOYSA-N
MW456.63 g/mol
LogP6.76
Rot. Bonds9

About 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea

3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea (PubChem CID 42696184) has the molecular formula C30H36N2O2 and a molecular weight of 456.63 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
PubChem CID42696184
Molecular FormulaC30H36N2O2
Molecular Weight456.63 g/mol
Exact Mass456.28
IUPAC Name3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea
SMILESCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)NC2CCCCC2)cc1
InChIInChI=1S/C30H36N2O2/c1-34-28-19-17-24(18-20-28)23-32(30(33)31-27-15-9-4-10-16-27)22-21-29(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-3,5-8,11-14,17-20,27,29H,4,9-10,15-16,21-23H2,1H3,(H,31,33)
InChIKeyNKHKFFUHLVHTNQ-UHFFFAOYSA-N
XLogP6.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.63
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclohexyl-1-ethyl-1-[(4-methoxyphenyl)methyl]urea
CID 87013249
N-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-[(4-methoxyphenyl)methyl]-3,3-diphenylpropanamide
CID 100515361
methyl 3-[benzyl(cyclohexylcarbamoyl)amino]propanoate
CID 42697991
2-[benzyl(methyl)amino]-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 122174537
N-[(4-methoxyphenyl)methyl]-N-[3-phenyl-3-(4-propan-2-yloxyphenyl)propyl]acetamide
CID 3708634
3-cyclohexyl-1-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 110287969
2-[benzyl-(2-chloroacetyl)amino]-N-cycloheptyl-2-(4-methoxyphenyl)acetamide
CID 86810113
(2R)-N-cyclohexyl-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 100511836
1-benzyl-1-(2-cyanoethyl)-3-cyclohexylurea
CID 4685266
1-[[4-[4-[(cyclohexylamino)methyl]phenyl]phenyl]methyl]-3-(4-methoxyphenyl)-1-(2-phenylethyl)urea
CID 139943886
(2S)-N-cyclopropyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-2-phenylacetamide
CID 8770772
N-cyclopentyl-2-[(4-methoxyphenyl)methyl-methylamino]propanamide
CID 46614381

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea?
The IUPAC name of 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea (CID 42696184) is 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea.
What is the SMILES notation for 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea?
The canonical SMILES for 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea is COc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)NC2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea?
The InChIKey is NKHKFFUHLVHTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O2/c1-34-28-19-17-24(18-20-28)23-32(30(33)31-27-15-9-4-10-16-27)22-21-29(25-11-5-2-6-12-25)26-13-7-3-8-14-26/h2-3,5-8,11-14,17-20,27,29H,4,9-10,15-16,21-23H2,1H3,(H,31,33).
What are the key properties of 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea?
3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea has a molecular weight of 456.63 g/mol, XLogP of 6.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3,3-diphenylpropyl)-1-[(4-methoxyphenyl)methyl]urea is sourced from PubChem (CID 42696184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).