1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea

C18H28N2O3 — CID 110012205

IUPAC1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
SMILESCOCC(NC(=O)N(C)CC1CCCCC1O)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-20(12-15-10-6-7-11-17(15)21)18(22)19-16(13-23-2)14-8-4-3-5-9-14/h3-5,8-9,15-17,21H,6-7,10-13H2,1-2H3,(H,19,22)
InChIKeyXRUVHMWJFPNUFB-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.57
Rot. Bonds6

About 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea

1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea (PubChem CID 110012205) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea.

Molecular Properties

Compound Name1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
PubChem CID110012205
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Name1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea
SMILESCOCC(NC(=O)N(C)CC1CCCCC1O)c1ccccc1
InChIInChI=1S/C18H28N2O3/c1-20(12-15-10-6-7-11-17(15)21)18(22)19-16(13-23-2)14-8-4-3-5-9-14/h3-5,8-9,15-17,21H,6-7,10-13H2,1-2H3,(H,19,22)
InChIKeyXRUVHMWJFPNUFB-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[(1S,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]urea
CID 98874250
1-[(2-hydroxycyclohexyl)methyl]-1-methyl-3-(1-pyridin-4-ylethyl)urea
CID 75483877
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-[1-(3-nitrophenyl)propyl]urea
CID 109398812
(2-methoxy-1-phenylethyl)carbamic acid
CID 69063915
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1R)-3-methyl-1-pyridin-2-ylbutyl]urea
CID 97242838
1-[[(1S,2S)-2-hydroxycyclopentyl]methyl]-1-methyl-3-[(1S)-1-pyridin-2-ylbutyl]urea
CID 97326954
3-[1-(2,5-difluorophenyl)propyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110012598
N-[(2-hydroxycyclohexyl)methyl]-2-methoxy-2-phenylacetamide
CID 64929493
1-[(2-hydroxycyclopentyl)methyl]-1-methyl-3-(2-phenylmethoxyethyl)urea
CID 109398797
3-[4-(dimethylamino)butan-2-yl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011987
3-[1-(2,3-difluorophenyl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 86784726
3-[1-(1H-benzimidazol-2-yl)ethyl]-1-[(2-hydroxycyclohexyl)methyl]-1-methylurea
CID 110011834

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea?
The IUPAC name of 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea (CID 110012205) is 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea.
What is the SMILES notation for 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea?
The canonical SMILES for 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea is COCC(NC(=O)N(C)CC1CCCCC1O)c1ccccc1.
What is the InChIKey of 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea?
The InChIKey is XRUVHMWJFPNUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-20(12-15-10-6-7-11-17(15)21)18(22)19-16(13-23-2)14-8-4-3-5-9-14/h3-5,8-9,15-17,21H,6-7,10-13H2,1-2H3,(H,19,22).
What are the key properties of 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea?
1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea has a molecular weight of 320.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxycyclohexyl)methyl]-3-(2-methoxy-1-phenylethyl)-1-methylurea is sourced from PubChem (CID 110012205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).