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

C24H22N2O3 — CID 11463318

IUPAC1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-17-3-5-18(6-4-17)7-16-23(27)19-8-10-20(11-9-19)25-24(28)26-21-12-14-22(29-2)15-13-21/h3-16H,1-2H3,(H2,25,26,28)/b16-7+
InChIKeyRXRVMDOFPRSPAL-FRKPEAEDSA-N
MW386.45 g/mol
LogP5.54
Rot. Bonds6

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

1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea (PubChem CID 11463318) has the molecular formula C24H22N2O3 and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea
PubChem CID11463318
Molecular FormulaC24H22N2O3
Molecular Weight386.45 g/mol
Exact Mass386.16
IUPAC Name1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea
SMILESCOc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O3/c1-17-3-5-18(6-4-17)7-16-23(27)19-8-10-20(11-9-19)25-24(28)26-21-12-14-22(29-2)15-13-21/h3-16H,1-2H3,(H2,25,26,28)/b16-7+
InChIKeyRXRVMDOFPRSPAL-FRKPEAEDSA-N
XLogP5.54
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.54
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-(4-methylphenyl)prop-2-enoyl]phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea (CID 11463318) is 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea is COc1ccc(NC(=O)Nc2ccc(C(=O)/C=C/c3ccc(C)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea?
The InChIKey is RXRVMDOFPRSPAL-FRKPEAEDSA-N. The full InChI is InChI=1S/C24H22N2O3/c1-17-3-5-18(6-4-17)7-16-23(27)19-8-10-20(11-9-19)25-24(28)26-21-12-14-22(29-2)15-13-21/h3-16H,1-2H3,(H2,25,26,28)/b16-7+.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea?
1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]urea has a molecular weight of 386.45 g/mol, XLogP of 5.54, 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-(4-methylphenyl)prop-2-enoyl]phenyl]urea is sourced from PubChem (CID 11463318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).