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

C24H22N2O4 — CID 11395528

IUPAC1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea
SMILESCOc1ccc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-29-21-12-3-17(4-13-21)5-16-23(27)18-6-8-19(9-7-18)25-24(28)26-20-10-14-22(30-2)15-11-20/h3-16H,1-2H3,(H2,25,26,28)/b16-5+
InChIKeyUMGYKIBHEXYETI-FZSIALSZSA-N
MW402.45 g/mol
LogP5.24
Rot. Bonds7

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

1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea (PubChem CID 11395528) has the molecular formula C24H22N2O4 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea
PubChem CID11395528
Molecular FormulaC24H22N2O4
Molecular Weight402.45 g/mol
Exact Mass402.16
IUPAC Name1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea
SMILESCOc1ccc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1
InChIInChI=1S/C24H22N2O4/c1-29-21-12-3-17(4-13-21)5-16-23(27)18-6-8-19(9-7-18)25-24(28)26-20-10-14-22(30-2)15-11-20/h3-16H,1-2H3,(H2,25,26,28)/b16-5+
InChIKeyUMGYKIBHEXYETI-FZSIALSZSA-N
XLogP5.24
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.45
LogP ≤ 55.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-Methoxyphenyl)benzoic acid amide
CID 139031
[4-[(4-Acetylphenyl)carbamoylamino]phenyl] sulfamate
CID 70696643
N-(4-benzoylphenyl)-3-methoxybenzamide
CID 837710
4-[[(4-Methoxyanilino)-oxomethyl]amino]benzoic acid methyl ester
CID 970268
phenyl N-(4-acetylphenyl)carbamate
CID 806009
3-(2-Methoxyphenyl)-4-[[4-(phenylcarbonyl)phenyl]amino]pyrrole-2,5-dione
CID 134822023
(2R)-N-[4-(benzoyl)phenyl]-2-(4-methylphenoxy)propanamide
CID 1019881
(1R,2R)-2-{[4-(4-{[(4-methoxyphenyl)carbamoyl]amino}phenyl)phenyl]carbonyl}cyclopentane-1-carboxylic acid
CID 24768268
Phenyl ({[4-(methoxycarbonyl)phenyl]amino}carbonylamino)formate
CID 728299
N-[(4-methoxyphenyl)carbamoyl]benzamide
CID 977500
3-methoxy-N-{4-[(phenylacetyl)amino]phenyl}benzamide
CID 1306000
3-benzamido-N-(4-ethoxyphenyl)benzamide
CID 1308956

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea (CID 11395528) is 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea is COc1ccc(/C=C/C(=O)c2ccc(NC(=O)Nc3ccc(OC)cc3)cc2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea?
The InChIKey is UMGYKIBHEXYETI-FZSIALSZSA-N. The full InChI is InChI=1S/C24H22N2O4/c1-29-21-12-3-17(4-13-21)5-16-23(27)18-6-8-19(9-7-18)25-24(28)26-20-10-14-22(30-2)15-11-20/h3-16H,1-2H3,(H2,25,26,28)/b16-5+.
What are the key properties of 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea?
1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea has a molecular weight of 402.45 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[4-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]phenyl]urea is sourced from PubChem (CID 11395528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).