1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea

C18H22N2O2 — CID 134998712

IUPAC1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)[C@](C)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O2/c1-18(20(3)17(21)19-2,14-8-6-5-7-9-14)15-10-12-16(22-4)13-11-15/h5-13H,1-4H3,(H,19,21)/t18-/m1/s1
InChIKeyLORGZTCVHYTHFU-GOSISDBHSA-N
MW298.39 g/mol
LogP3.23
Rot. Bonds4

About 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea

1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea (PubChem CID 134998712) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea
PubChem CID134998712
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea
SMILESCNC(=O)N(C)[C@](C)(c1ccccc1)c1ccc(OC)cc1
InChIInChI=1S/C18H22N2O2/c1-18(20(3)17(21)19-2,14-8-6-5-7-9-14)15-10-12-16(22-4)13-11-15/h5-13H,1-4H3,(H,19,21)/t18-/m1/s1
InChIKeyLORGZTCVHYTHFU-GOSISDBHSA-N
XLogP3.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
1-methoxy-4-[4-(2-phenylpropan-2-yl)phenoxy]benzene
CID 175430407
(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)propanoic acid
CID 93297247
1-(4-methoxyphenyl)-1,2,2-triphenylethane-1,2-diol
CID 70611668
methane;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] acetate
CID 157158688
(1S)-1-(4-methoxyphenyl)-1-phenylethanamine
CID 93047943
1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea
CID 102493490
1-[(4-methoxyphenyl)methyl]-1,3-dimethylurea
CID 115575178
(4-methoxyphenyl) 2-[4-(2-phenylpropan-2-yl)phenoxy]acetate
CID 1194399
acetic acid;[4-[1-(4-methoxyphenyl)-1-phenylethyl]phenyl] hydrogen carbonate;tungsten
CID 20709048
CID 102373172
CID 102373172

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea?
The IUPAC name of 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea (CID 134998712) is 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea.
What is the SMILES notation for 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea?
The canonical SMILES for 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea is CNC(=O)N(C)[C@](C)(c1ccccc1)c1ccc(OC)cc1.
What is the InChIKey of 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea?
The InChIKey is LORGZTCVHYTHFU-GOSISDBHSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-18(20(3)17(21)19-2,14-8-6-5-7-9-14)15-10-12-16(22-4)13-11-15/h5-13H,1-4H3,(H,19,21)/t18-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea?
1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea has a molecular weight of 298.39 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea is sourced from PubChem (CID 134998712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).