methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate

C25H23NO3 — CID 170766347

IUPACmethyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(C(=O)NCc2ccc(C)cc2)cc(-c2ccccc2)c1
InChIInChI=1S/C25H23NO3/c1-18-8-10-19(11-9-18)17-26-25(28)23-15-20(12-13-24(27)29-2)14-22(16-23)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,28)/b13-12+
InChIKeyLEAPTQTUUROTKL-OUKQBFOZSA-N
MW385.46 g/mol
LogP4.78
Rot. Bonds6

About methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate

methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate (PubChem CID 170766347) has the molecular formula C25H23NO3 and a molecular weight of 385.46 g/mol. Its IUPAC name is methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate
PubChem CID170766347
Molecular FormulaC25H23NO3
Molecular Weight385.46 g/mol
Exact Mass385.17
IUPAC Namemethyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate
SMILESCOC(=O)/C=C/c1cc(C(=O)NCc2ccc(C)cc2)cc(-c2ccccc2)c1
InChIInChI=1S/C25H23NO3/c1-18-8-10-19(11-9-18)17-26-25(28)23-15-20(12-13-24(27)29-2)14-22(16-23)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,28)/b13-12+
InChIKeyLEAPTQTUUROTKL-OUKQBFOZSA-N
XLogP4.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170766335
ethane;(E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoic acid
CID 170790898
3-[(E)-2-cyanoethenyl]-N-[(4-methylphenyl)methyl]-5-(4-phenoxyphenyl)benzamide
CID 170766386
methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]prop-2-enoate
CID 170766375
(E)-3-[3-(4-cyanophenyl)-5-[(4-methylphenyl)methylcarbamoyl]phenyl]prop-2-enoic acid
CID 170766319
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
methyl (E)-3-[4-[[(4-acetylbenzoyl)amino]methyl]phenyl]prop-2-enoate
CID 163207808
3,5-dimethoxy-N-[(4-methylphenyl)methyl]benzamide
CID 835462
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
N-[(4-methylphenyl)methyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]benzamide
CID 17320578
3,5-dihydroxy-N-[(4-methylphenyl)methyl]benzamide
CID 103891536
methyl (E)-3-[5-(4-methylphenyl)-3-pyridinyl]prop-2-enoate
CID 86756173

Frequently Asked Questions

What is the IUPAC name of methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate?
The IUPAC name of methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate (CID 170766347) is methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate.
What is the SMILES notation for methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate?
The canonical SMILES for methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate is COC(=O)/C=C/c1cc(C(=O)NCc2ccc(C)cc2)cc(-c2ccccc2)c1.
What is the InChIKey of methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate?
The InChIKey is LEAPTQTUUROTKL-OUKQBFOZSA-N. The full InChI is InChI=1S/C25H23NO3/c1-18-8-10-19(11-9-18)17-26-25(28)23-15-20(12-13-24(27)29-2)14-22(16-23)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,28)/b13-12+.
What are the key properties of methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate?
methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate has a molecular weight of 385.46 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-3-[3-[(4-methylphenyl)methylcarbamoyl]-5-phenylphenyl]prop-2-enoate is sourced from PubChem (CID 170766347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).