1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea

C25H26N2O3 — CID 42696281

IUPAC1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCOc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C25H26N2O3/c1-3-30-22-17-15-21(16-18-22)27(19-9-12-20-10-5-4-6-11-20)25(28)26-23-13-7-8-14-24(23)29-2/h4-18H,3,19H2,1-2H3,(H,26,28)/b12-9+
InChIKeyOZRBIEVCRVTBTR-FMIVXFBMSA-N
MW402.49 g/mol
LogP5.85
Rot. Bonds8

About 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea

1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea (PubChem CID 42696281) has the molecular formula C25H26N2O3 and a molecular weight of 402.49 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
PubChem CID42696281
Molecular FormulaC25H26N2O3
Molecular Weight402.49 g/mol
Exact Mass402.19
IUPAC Name1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea
SMILESCCOc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccccc2OC)cc1
InChIInChI=1S/C25H26N2O3/c1-3-30-22-17-15-21(16-18-22)27(19-9-12-20-10-5-4-6-11-20)25(28)26-23-13-7-8-14-24(23)29-2/h4-18H,3,19H2,1-2H3,(H,26,28)/b12-9+
InChIKeyOZRBIEVCRVTBTR-FMIVXFBMSA-N
XLogP5.85
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.49
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-3-(2-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42696272
(E)-N-[3-[N-[(2-methoxyphenyl)carbamoyl]-4-phenoxyanilino]propyl]-3-phenylprop-2-enamide
CID 42707034
3,4,5-trimethoxy-N-(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]benzamide
CID 42696233
3-(2-ethoxyphenyl)-1-ethyl-1-phenylurea
CID 108991523
N,2-bis(4-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 42696235
1-(4-ethoxyphenyl)-1-[(E)-2-methyl-3-phenylprop-2-enyl]-3-phenylurea
CID 42697597
ethyl 3-[4-methoxy-N-[(2-methoxyphenyl)carbamothioyl]anilino]propanoate
CID 3337417
2-(4-ethoxy-N-methylsulfonylanilino)-N-(2-methoxyphenyl)butanamide
CID 132662747
N-(4-ethoxyphenyl)-2-(2-methoxyanilino)acetamide
CID 9080558
1-(4-ethylphenyl)-3-(3-fluorophenyl)-1-[(E)-3-phenylprop-2-enyl]urea
CID 42697826
N-ethyl-2-(2-methoxyphenyl)-N-[(E)-3-phenylprop-2-enyl]acetamide
CID 46995618
2-(N-(4-ethoxyphenyl)sulfonyl-4-fluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 53280206

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea (CID 42696281) is 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea is CCOc1ccc(N(C/C=C/c2ccccc2)C(=O)Nc2ccccc2OC)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
The InChIKey is OZRBIEVCRVTBTR-FMIVXFBMSA-N. The full InChI is InChI=1S/C25H26N2O3/c1-3-30-22-17-15-21(16-18-22)27(19-9-12-20-10-5-4-6-11-20)25(28)26-23-13-7-8-14-24(23)29-2/h4-18H,3,19H2,1-2H3,(H,26,28)/b12-9+.
What are the key properties of 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea?
1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea has a molecular weight of 402.49 g/mol, XLogP of 5.85, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-1-[(E)-3-phenylprop-2-enyl]urea is sourced from PubChem (CID 42696281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).