1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea

C23H20N2O3 — CID 11164639

IUPAC1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-28-21-14-12-20(13-15-21)25-23(27)24-19-10-8-18(9-11-19)22(26)16-7-17-5-3-2-4-6-17/h2-16H,1H3,(H2,24,25,27)/b16-7+
InChIKeyYPOKTNOPARZWJX-FRKPEAEDSA-N
MW372.42 g/mol
LogP5.24
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea

1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea (PubChem CID 11164639) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
PubChem CID11164639
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC Name1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1
InChIInChI=1S/C23H20N2O3/c1-28-21-14-12-20(13-15-21)25-23(27)24-19-10-8-18(9-11-19)22(26)16-7-17-5-3-2-4-6-17/h2-16H,1H3,(H2,24,25,27)/b16-7+
InChIKeyYPOKTNOPARZWJX-FRKPEAEDSA-N
XLogP5.24
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.42
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea (CID 11164639) is 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea is COc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccccc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
The InChIKey is YPOKTNOPARZWJX-FRKPEAEDSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-28-21-14-12-20(13-15-21)25-23(27)24-19-10-8-18(9-11-19)22(26)16-7-17-5-3-2-4-6-17/h2-16H,1H3,(H2,24,25,27)/b16-7+.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea?
1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea has a molecular weight of 372.42 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[(E)-3-phenylprop-2-enoyl]phenyl]urea is sourced from PubChem (CID 11164639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).