1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea

C25H23N3O2 — CID 102493490

IUPAC1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea
SMILESC=C[C@@](c1ccccc1)(c1ccc(C#N)cc1)N(C(=O)NC)c1ccc(OC)cc1
InChIInChI=1S/C25H23N3O2/c1-4-25(20-8-6-5-7-9-20,21-12-10-19(18-26)11-13-21)28(24(29)27-2)22-14-16-23(30-3)17-15-22/h4-17H,1H2,2-3H3,(H,27,29)/t25-/m1/s1
InChIKeyHEIUTDQCEQBZDQ-RUZDIDTESA-N
MW397.48 g/mol
LogP4.84
Rot. Bonds6

About 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea

1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea (PubChem CID 102493490) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea.

Molecular Properties

Compound Name1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea
PubChem CID102493490
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC Name1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea
SMILESC=C[C@@](c1ccccc1)(c1ccc(C#N)cc1)N(C(=O)NC)c1ccc(OC)cc1
InChIInChI=1S/C25H23N3O2/c1-4-25(20-8-6-5-7-9-20,21-12-10-19(18-26)11-13-21)28(24(29)27-2)22-14-16-23(30-3)17-15-22/h4-17H,1H2,2-3H3,(H,27,29)/t25-/m1/s1
InChIKeyHEIUTDQCEQBZDQ-RUZDIDTESA-N
XLogP4.84
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1R)-1-(4-methoxyphenyl)-1-phenylethyl]-1,3-dimethylurea
CID 134998712
2-(4-cyanophenoxy)-N-(1,1-diphenylethyl)acetamide
CID 56522927
4-methoxy(13C)benzonitrile
CID 175991125
1-(4-methoxyphenyl)-1,3-dimethylurea
CID 116655338
2-(4-methoxyphenyl)-2-phenylpropanenitrile
CID 175950796
1-N-(4-cyanophenyl)-4-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 109050095
[4-[2-[2-(4-cyanophenyl)propan-2-yloxy]-2-oxoethoxy]phenyl]-diphenylsulfanium
CID 169017153
4-[N-(4-cyanophenyl)-4-[2-[4-(4-methoxy-N-(4-methoxyphenyl)anilino)phenyl]ethynyl]anilino]benzonitrile
CID 11039418
1-hydroxy-1-(4-methoxyphenyl)-1-phenylpropan-2-one
CID 141100176
N-(4-cyanophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108969446
(2R)-2-(4-methoxyphenyl)-3-methyl-2-phenylbutanenitrile
CID 134956914
3-(4-methoxyphenyl)-5-phenylpent-1-en-4-yn-3-ol
CID 67785197

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea?
The IUPAC name of 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea (CID 102493490) is 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea.
What is the SMILES notation for 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea?
The canonical SMILES for 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea is C=C[C@@](c1ccccc1)(c1ccc(C#N)cc1)N(C(=O)NC)c1ccc(OC)cc1.
What is the InChIKey of 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea?
The InChIKey is HEIUTDQCEQBZDQ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H23N3O2/c1-4-25(20-8-6-5-7-9-20,21-12-10-19(18-26)11-13-21)28(24(29)27-2)22-14-16-23(30-3)17-15-22/h4-17H,1H2,2-3H3,(H,27,29)/t25-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea?
1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea has a molecular weight of 397.48 g/mol, XLogP of 4.84, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-cyanophenyl)-1-phenylprop-2-enyl]-1-(4-methoxyphenyl)-3-methylurea is sourced from PubChem (CID 102493490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).