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

C18H28N2O3 — CID 111459234

IUPAC3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1N(C)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C18H28N2O3/c1-14-7-3-5-9-16(14)20(2)18(22)19-13-15-8-4-6-10-17(15)23-12-11-21/h4,6,8,10,14,16,21H,3,5,7,9,11-13H2,1-2H3,(H,19,22)
InChIKeyDMXAIHYUJCTZFS-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.78
Rot. Bonds6

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

3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea (PubChem CID 111459234) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea.

Molecular Properties

Compound Name3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
PubChem CID111459234
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea
SMILESCC1CCCCC1N(C)C(=O)NCc1ccccc1OCCO
InChIInChI=1S/C18H28N2O3/c1-14-7-3-5-9-16(14)20(2)18(22)19-13-15-8-4-6-10-17(15)23-12-11-21/h4,6,8,10,14,16,21H,3,5,7,9,11-13H2,1-2H3,(H,19,22)
InChIKeyDMXAIHYUJCTZFS-UHFFFAOYSA-N
XLogP2.78
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-diethyl-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111459245
1-(cyclopropylmethyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111457988
(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-ethylcyclohexyl)-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458038
1-[(2,5-difluorophenyl)methyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]urea
CID 111458080
N-[[2-(2-hydroxyethoxy)phenyl]methyl]-3,5-dimethylpiperidine-1-carboxamide
CID 111459230
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-(1-thiophen-2-ylethyl)urea
CID 111459238
1-[1-(furan-2-yl)ethyl]-3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methylurea
CID 111459237
(2S)-2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 125444999
2-(2-hydroxyethyl)-N-[(2-propoxyphenyl)methyl]piperidine-1-carboxamide
CID 122568396
1-[[2-(2-hydroxyethoxy)phenyl]methyl]-3-[(3-methylphenyl)methyl]urea
CID 111457991

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea?
The IUPAC name of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea (CID 111459234) is 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea.
What is the SMILES notation for 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea?
The canonical SMILES for 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea is CC1CCCCC1N(C)C(=O)NCc1ccccc1OCCO.
What is the InChIKey of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea?
The InChIKey is DMXAIHYUJCTZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-14-7-3-5-9-16(14)20(2)18(22)19-13-15-8-4-6-10-17(15)23-12-11-21/h4,6,8,10,14,16,21H,3,5,7,9,11-13H2,1-2H3,(H,19,22).
What are the key properties of 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea?
3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea has a molecular weight of 320.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-hydroxyethoxy)phenyl]methyl]-1-methyl-1-(2-methylcyclohexyl)urea is sourced from PubChem (CID 111459234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).