1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

C18H28N2O3 — CID 111458038

IUPAC1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESCCC1CCCCC1NC(=O)NCc1ccccc1OCCO
InChIInChI=1S/C18H28N2O3/c1-2-14-7-3-5-9-16(14)20-18(22)19-13-15-8-4-6-10-17(15)23-12-11-21/h4,6,8,10,14,16,21H,2-3,5,7,9,11-13H2,1H3,(H2,19,20,22)
InChIKeyKFBGAJZFXAFFBK-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.83
Rot. Bonds7

About 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea

1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (PubChem CID 111458038) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
PubChem CID111458038
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
SMILESCCC1CCCCC1NC(=O)NCc1ccccc1OCCO
InChIInChI=1S/C18H28N2O3/c1-2-14-7-3-5-9-16(14)20-18(22)19-13-15-8-4-6-10-17(15)23-12-11-21/h4,6,8,10,14,16,21H,2-3,5,7,9,11-13H2,1H3,(H2,19,20,22)
InChIKeyKFBGAJZFXAFFBK-UHFFFAOYSA-N
XLogP2.83
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-ethylphenyl)methyl]-3-[2-(hydroxymethyl)cyclohexyl]urea
CID 111631134
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
1-(2,3-dihydro-1H-inden-1-yl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457998
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
CID 111459234
1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
1-(2-hydroxycyclohexyl)-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 110933206
(3S,3aS,7aR)-N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboxamide
CID 99853495
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea
CID 75373343
2-ethyl-N-[(2-prop-2-enoxyphenyl)methyl]cyclohexan-1-amine
CID 43784273
trans-(1S,2R)-2-ethyl-N-[(2-methoxyphenyl)methyl]cyclohexan-1-amine
CID 93046208
N-[2-(hydroxymethyl)cyclohexyl]-2-(2-methoxyphenyl)acetamide
CID 103798304

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The IUPAC name of 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea (CID 111458038) is 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The canonical SMILES for 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is CCC1CCCCC1NC(=O)NCc1ccccc1OCCO.
What is the InChIKey of 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
The InChIKey is KFBGAJZFXAFFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-14-7-3-5-9-16(14)20-18(22)19-13-15-8-4-6-10-17(15)23-12-11-21/h4,6,8,10,14,16,21H,2-3,5,7,9,11-13H2,1H3,(H2,19,20,22).
What are the key properties of 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea?
1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea has a molecular weight of 320.43 g/mol, XLogP of 2.83, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea is sourced from PubChem (CID 111458038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).