1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea

C25H26N2O2 — CID 42697597

IUPAC1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-29-24-16-14-23(15-17-24)27(25(28)26-22-12-8-5-9-13-22)19-20(2)18-21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3,(H,26,28)/b20-18+
InChIKeyWCUPONHDYAFVGN-CZIZESTLSA-N
MW386.50 g/mol
LogP6.23
Rot. Bonds7

About 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea

1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea (PubChem CID 42697597) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
PubChem CID42697597
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
SMILESCCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C25H26N2O2/c1-3-29-24-16-14-23(15-17-24)27(25(28)26-22-12-8-5-9-13-22)19-20(2)18-21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3,(H,26,28)/b20-18+
InChIKeyWCUPONHDYAFVGN-CZIZESTLSA-N
XLogP6.23
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-ethoxyphenyl)-2-(4-methoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]acetamide
CID 42697314
N-(4-ethoxyphenyl)-4-fluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697308
N-(4-ethoxyphenyl)-3,5-dimethoxy-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzamide
CID 42697315
N-(4-ethoxyphenyl)-N-[(E)-2-methyl-3-phenylprop-2-enyl]benzenesulfonamide
CID 42697318
1-[2-(2,4-dichlorophenyl)ethyl]-3-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]urea
CID 6107010
(2E)-2-benzylidene-N-(4-ethoxyphenyl)-3-oxobutanamide
CID 5387707
3-(1-adamantyl)-1-(4-methoxyphenyl)-1-(2-methyl-3-phenylprop-2-enyl)urea
CID 4647974
N-(4-anilinophenyl)-N'-(4-ethoxyphenyl)oxamide
CID 108514453
1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696272
2-(4-acetamido-N-acetylanilino)-N-(4-ethoxyphenyl)acetamide
CID 113175991
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696281
1-amino-3-(4-ethoxyphenyl)-1-methylurea
CID 154129806

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
The IUPAC name of 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea (CID 42697597) is 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
The canonical SMILES for 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea is CCOc1ccc(N(C/C(C)=C/c2ccccc2)C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
The InChIKey is WCUPONHDYAFVGN-CZIZESTLSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-3-29-24-16-14-23(15-17-24)27(25(28)26-22-12-8-5-9-13-22)19-20(2)18-21-10-6-4-7-11-21/h4-18H,3,19H2,1-2H3,(H,26,28)/b20-18+.
What are the key properties of 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea?
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea has a molecular weight of 386.50 g/mol, XLogP of 6.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea is sourced from PubChem (CID 42697597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).