1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea

C28H38N4O2 — CID 15231966

IUPAC1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
SMILESO=C(NC1CCCCC1)NC(c1ccccc1)C(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C28H38N4O2/c33-27(29-23-17-9-3-10-18-23)31-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)32-28(34)30-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-26H,3-4,9-12,17-20H2,(H2,29,31,33)(H2,30,32,34)
InChIKeyCXZPXZZKQZTCOY-UHFFFAOYSA-N
MW462.64 g/mol
LogP5.73
Rot. Bonds7

About 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea

1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea (PubChem CID 15231966) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
PubChem CID15231966
Molecular FormulaC28H38N4O2
Molecular Weight462.64 g/mol
Exact Mass462.30
IUPAC Name1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
SMILESO=C(NC1CCCCC1)NC(c1ccccc1)C(NC(=O)NC1CCCCC1)c1ccccc1
InChIInChI=1S/C28H38N4O2/c33-27(29-23-17-9-3-10-18-23)31-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)32-28(34)30-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-26H,3-4,9-12,17-20H2,(H2,29,31,33)(H2,30,32,34)
InChIKeyCXZPXZZKQZTCOY-UHFFFAOYSA-N
XLogP5.73
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.64
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-3-[(1S,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 70268253
1-cyclohexyl-3-[(1R)-1-phenylethyl]urea
CID 840473
1-(3-chlorophenyl)-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 54262033
1-(3-chlorophenyl)-3-[(1R,2S)-2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea
CID 57171555
1-cyclooctyl-3-[1,2-diphenyl-2-[[4-(trifluoromethyl)phenyl]carbamoylamino]ethyl]urea;methane
CID 173354355
1-cyclohexyl-3-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]urea
CID 40541623
1-[cyano(phenyl)methyl]-3-cyclohexylurea
CID 54904474
2-(cyclohexylcarbamoylamino)-N-methyl-2-phenylacetamide
CID 47075852
1-cyclohexyl-3-[(R)-(2-methylphenyl)-phenylmethyl]urea
CID 100744634
1-cyclopentyl-3-(2,2-diphenylethyl)urea
CID 38287341
1-cyclobutyl-3-(1-phenylpropyl)urea
CID 113233155
(2S)-1-[bis(cyclohexylamino)methylidene]-N-[(1S,2S)-2-[[(2S)-1-[bis(cyclohexylamino)methylidene]piperidin-1-ium-2-carbonyl]amino]-1,2-diphenylethyl]piperidin-1-ium-2-carboxamide
CID 139122274

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea?
The IUPAC name of 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea (CID 15231966) is 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea is O=C(NC1CCCCC1)NC(c1ccccc1)C(NC(=O)NC1CCCCC1)c1ccccc1.
What is the InChIKey of 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea?
The InChIKey is CXZPXZZKQZTCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38N4O2/c33-27(29-23-17-9-3-10-18-23)31-25(21-13-5-1-6-14-21)26(22-15-7-2-8-16-22)32-28(34)30-24-19-11-4-12-20-24/h1-2,5-8,13-16,23-26H,3-4,9-12,17-20H2,(H2,29,31,33)(H2,30,32,34).
What are the key properties of 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea?
1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea has a molecular weight of 462.64 g/mol, XLogP of 5.73, 7 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[2-(cyclohexylcarbamoylamino)-1,2-diphenylethyl]urea is sourced from PubChem (CID 15231966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).