1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea

C15H22N2O3 — CID 99635550

IUPAC1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C15H22N2O3/c1-17(13-8-3-4-9-14(13)18)15(19)16-11-6-5-7-12(10-11)20-2/h5-7,10,13-14,18H,3-4,8-9H2,1-2H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyCENMYTVGGRNPKA-ZIAGYGMSSA-N
MW278.35 g/mol
LogP2.46
Rot. Bonds3

About 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea

1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea (PubChem CID 99635550) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea.

Molecular Properties

Compound Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
PubChem CID99635550
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea
SMILESCOc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2O)c1
InChIInChI=1S/C15H22N2O3/c1-17(13-8-3-4-9-14(13)18)15(19)16-11-6-5-7-12(10-11)20-2/h5-7,10,13-14,18H,3-4,8-9H2,1-2H3,(H,16,19)/t13-,14-/m1/s1
InChIKeyCENMYTVGGRNPKA-ZIAGYGMSSA-N
XLogP2.46
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chlorophenyl)-1-[(1S,2S)-2-hydroxycyclohexyl]-1-methylurea
CID 95706166
3-[3-(aminomethyl)phenyl]-1-(2-hydroxycyclohexyl)-1-methylurea
CID 102633134
1-(azetidin-3-yl)-3-(3-methoxyphenyl)-1-methylurea
CID 66187335
2-chloro-N-[(1R,2R)-2-hydroxycyclohexyl]-2-(3-methoxyphenyl)-N-methylacetamide
CID 13055743
N-cyclopentyl-N'-(3-methoxyphenyl)oxamide
CID 7541556
2-[(2-hydroxycyclopentyl)methyl-methylamino]-N-(3-methoxyphenyl)acetamide
CID 109397891
1-(1,1-dioxothian-4-yl)-3-[3-(3-methoxyphenyl)phenyl]-1-methylurea
CID 118793325
1-(3-aminopropyl)-1-cyclobutyl-3-(3-methoxyphenyl)urea
CID 102874255
3-[3-(3-methoxyphenyl)phenyl]-1-methyl-1-[(3R)-1-methylpyrrolidin-3-yl]urea
CID 97277934
1-[(3-methoxyphenyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55034694
N-cycloheptyl-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]acetamide
CID 26624583
2-[[amino-(3-methoxyanilino)methylidene]amino]-N-cyclohexyl-N-methylacetamide
CID 119142445

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea?
The IUPAC name of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea (CID 99635550) is 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea.
What is the SMILES notation for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea?
The canonical SMILES for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea is COc1cccc(NC(=O)N(C)[C@@H]2CCCC[C@H]2O)c1.
What is the InChIKey of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea?
The InChIKey is CENMYTVGGRNPKA-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-17(13-8-3-4-9-14(13)18)15(19)16-11-6-5-7-12(10-11)20-2/h5-7,10,13-14,18H,3-4,8-9H2,1-2H3,(H,16,19)/t13-,14-/m1/s1.
What are the key properties of 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea?
1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea has a molecular weight of 278.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R,2R)-2-hydroxycyclohexyl]-3-(3-methoxyphenyl)-1-methylurea is sourced from PubChem (CID 99635550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).