1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea

C15H22N2O2 — CID 40636375

IUPAC1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H22N2O2/c1-11-7-3-4-8-12(11)16-15(18)17-13-9-5-6-10-14(13)19-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,16,17,18)/t11-,12-/m1/s1
InChIKeyGUCYJTFAYNKTRQ-VXGBXAGGSA-N
MW262.35 g/mol
LogP3.40
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea

1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea (PubChem CID 40636375) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
PubChem CID40636375
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea
SMILESCOc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C
InChIInChI=1S/C15H22N2O2/c1-11-7-3-4-8-12(11)16-15(18)17-13-9-5-6-10-14(13)19-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,16,17,18)/t11-,12-/m1/s1
InChIKeyGUCYJTFAYNKTRQ-VXGBXAGGSA-N
XLogP3.40
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-aminocycloheptyl)-3-(2-methoxyphenyl)urea
CID 63258521
1-(2-methoxyphenyl)-3-[3-[(2-methoxyphenyl)carbamoylamino]-4-methylcyclohexyl]urea
CID 3446591
1-(2-aminocyclopentyl)-3-(2-methoxyphenyl)urea
CID 63251747
1-[2-(methoxymethyl)phenyl]-3-[(1S,2R)-2-methylcyclohexyl]urea
CID 94081568
(2-methylcyclohexyl) N-(2-methoxyphenyl)carbamate
CID 3641247
2-methoxy-N-[(1S,2R)-2-methylcyclopentyl]aniline
CID 97030521
2-(2-methoxyphenoxy)-N-[(1S,2R)-2-methylcyclohexyl]acetamide
CID 7834380
N-[(2-methoxyphenyl)methyl]-N'-[(1S,2S)-2-methylcyclohexyl]oxamide
CID 124605769
2-(2-methoxyphenyl)-2-methyl-N-(2-methylcyclohexyl)propanamide
CID 110437884
1-(2-hydroxycyclohexyl)-3-(2-propan-2-yloxyphenyl)urea
CID 110933007
N-[2,5-dimethoxy-4-[[(1S,2R)-2-methylcyclohexyl]carbamothioylamino]phenyl]benzamide
CID 8660288
N'-(2,4-dimethoxyphenyl)-N-(2-methylcyclohexyl)oxamide
CID 3220604

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
The IUPAC name of 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea (CID 40636375) is 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
The canonical SMILES for 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea is COc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1C.
What is the InChIKey of 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
The InChIKey is GUCYJTFAYNKTRQ-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-11-7-3-4-8-12(11)16-15(18)17-13-9-5-6-10-14(13)19-2/h5-6,9-12H,3-4,7-8H2,1-2H3,(H2,16,17,18)/t11-,12-/m1/s1.
What are the key properties of 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea?
1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea has a molecular weight of 262.35 g/mol, XLogP of 3.40, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-[(1R,2R)-2-methylcyclohexyl]urea is sourced from PubChem (CID 40636375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).