1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea

C17H24N2O2 — CID 108912537

IUPAC1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC=C1CCCCC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c20-12-11-19(14-16-9-5-2-6-10-16)17(21)18-13-15-7-3-1-4-8-15/h2,5-6,9-10,13,20H,1,3-4,7-8,11-12,14H2,(H,18,21)
InChIKeyCQCRDWQUQLYHIW-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.04
Rot. Bonds5

About 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea

1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea (PubChem CID 108912537) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
PubChem CID108912537
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea
SMILESO=C(NC=C1CCCCC1)N(CCO)Cc1ccccc1
InChIInChI=1S/C17H24N2O2/c20-12-11-19(14-16-9-5-2-6-10-16)17(21)18-13-15-7-3-1-4-8-15/h2,5-6,9-10,13,20H,1,3-4,7-8,11-12,14H2,(H,18,21)
InChIKeyCQCRDWQUQLYHIW-UHFFFAOYSA-N
XLogP3.04
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N'-benzyl-N,N,N'-tris(2-hydroxyethyl)oxamide
CID 108509868
1-benzyl-1-(2-hydroxyethyl)-3-[(4-methylphenyl)methyl]urea
CID 108899087
1-benzyl-3-[(E)-2-(4-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108908454
1-benzyl-1-(2-hydroxyethyl)-3-pentan-3-ylurea
CID 108888312
1-benzyl-3-(cyanomethyl)-1-(2-hydroxyethyl)urea
CID 108864764
1-benzyl-1-(2-hydroxyethyl)-3-(1H-indol-3-yl)urea
CID 7615873
N,N'-dibenzyl-N'-(2-hydroxyethyl)-N-methyloxamide
CID 108518757
1-benzyl-3-[(E)-2-(3-chlorophenyl)ethenyl]-1-(2-hydroxyethyl)urea
CID 108906596
N-benzyl-1-(cyclohexylmethyl)-N-(2-hydroxyethyl)piperidin-1-ium-4-carboxamide
CID 6964229
1-benzyl-3-cyclohex-3-en-1-yl-1-(2-hydroxyethyl)urea
CID 111435351
1-(aminomethyl)-N-benzyl-N-(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 62115129
1,1-bis(2-hydroxyethyl)-3-(oxan-4-ylidenemethyl)urea
CID 108913130

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea?
The IUPAC name of 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea (CID 108912537) is 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea?
The canonical SMILES for 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea is O=C(NC=C1CCCCC1)N(CCO)Cc1ccccc1.
What is the InChIKey of 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea?
The InChIKey is CQCRDWQUQLYHIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c20-12-11-19(14-16-9-5-2-6-10-16)17(21)18-13-15-7-3-1-4-8-15/h2,5-6,9-10,13,20H,1,3-4,7-8,11-12,14H2,(H,18,21).
What are the key properties of 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea?
1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea has a molecular weight of 288.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(cyclohexylidenemethyl)-1-(2-hydroxyethyl)urea is sourced from PubChem (CID 108912537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).