1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea

C18H22N2O2 — CID 97417882

IUPAC1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
SMILESCO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-13-8-4-6-10-15(13)17(22-3)12-19-18(21)20-16-11-7-5-9-14(16)2/h4-11,17H,12H2,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyGNVSVOVJIGRACJ-KRWDZBQOSA-N
MW298.39 g/mol
LogP3.81
Rot. Bonds5

About 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea

1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea (PubChem CID 97417882) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
PubChem CID97417882
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea
SMILESCO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1C
InChIInChI=1S/C18H22N2O2/c1-13-8-4-6-10-15(13)17(22-3)12-19-18(21)20-16-11-7-5-9-14(16)2/h4-11,17H,12H2,1-3H3,(H2,19,20,21)/t17-/m0/s1
InChIKeyGNVSVOVJIGRACJ-KRWDZBQOSA-N
XLogP3.81
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-chlorophenyl)-3-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417892
1-[2-methoxy-2-(2-methylphenyl)ethyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 71810588
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-propan-2-ylurea
CID 97417874
1-(2,6-difluorophenyl)-3-[(2S)-2-methoxy-2-(2-methylphenyl)ethyl]urea
CID 97417893
1-[2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-3-(2-methylphenyl)urea
CID 91631086
N'-(3-chloro-2-methylphenyl)-N-[2-methoxy-2-(2-methylphenyl)ethyl]oxamide
CID 90598984
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,5-dimethylbenzamide
CID 90598696
N-[2-methoxy-2-(2-methylphenyl)ethyl]-3,3-dimethylbutanamide
CID 90598675
N-[2-methoxy-2-(2-methylphenyl)ethyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 90598970
2-methoxy-N-[2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 90598704
4-fluoro-N-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]benzamide
CID 97417642
1-(2-hydroxy-3,3-dimethylbutyl)-3-(2-methylphenyl)urea
CID 111430906

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea?
The IUPAC name of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea (CID 97417882) is 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea is CO[C@@H](CNC(=O)Nc1ccccc1C)c1ccccc1C.
What is the InChIKey of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea?
The InChIKey is GNVSVOVJIGRACJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-13-8-4-6-10-15(13)17(22-3)12-19-18(21)20-16-11-7-5-9-14(16)2/h4-11,17H,12H2,1-3H3,(H2,19,20,21)/t17-/m0/s1.
What are the key properties of 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea?
1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea has a molecular weight of 298.39 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methoxy-2-(2-methylphenyl)ethyl]-3-(2-methylphenyl)urea is sourced from PubChem (CID 97417882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).