(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

C25H24FNO3 — CID 51058331

IUPAC(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H24FNO3/c1-17-4-5-18(2)22(14-17)27-25(28)13-9-19-8-12-23(24(15-19)29-3)30-16-20-6-10-21(26)11-7-20/h4-15H,16H2,1-3H3,(H,27,28)/b13-9+
InChIKeyDIDVZBLMJWUPIL-UKTHLTGXSA-N
MW405.47 g/mol
LogP5.68
Rot. Bonds7

About (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide

(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (PubChem CID 51058331) has the molecular formula C25H24FNO3 and a molecular weight of 405.47 g/mol. Its IUPAC name is (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
PubChem CID51058331
Molecular FormulaC25H24FNO3
Molecular Weight405.47 g/mol
Exact Mass405.17
IUPAC Name(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C25H24FNO3/c1-17-4-5-18(2)22(14-17)27-25(28)13-9-19-8-12-23(24(15-19)29-3)30-16-20-6-10-21(26)11-7-20/h4-15H,16H2,1-3H3,(H,27,28)/b13-9+
InChIKeyDIDVZBLMJWUPIL-UKTHLTGXSA-N
XLogP5.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.47
LogP ≤ 55.68
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

3-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,4-dimethylphenyl)prop-2-enamide
CID 2788733
N-(4-acetamidophenyl)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enamide
CID 3454977
(E)-3-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]prop-2-enehydrazide
CID 91685038
3-(3,4-dimethoxyphenyl)-N-[(2,5-dimethylphenyl)carbamothioyl]prop-2-enamide
CID 5230954
N-(2,5-dimethylphenyl)-N'-[1-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]oxamide
CID 4576577
(E)-3-[4-(difluoromethoxy)-3-methoxyphenyl]-N-(5-fluoro-2-methylphenyl)prop-2-enamide
CID 18226955
(E)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]-N-(2-pyridin-4-ylethyl)prop-2-enamide
CID 51058334
(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-(2-fluoro-5-methylphenyl)prop-2-enamide
CID 32980348
(E)-N-(2,6-dimethylphenyl)-3-(3-methoxy-4-phenylmethoxyphenyl)prop-2-enamide
CID 1188946
3-(4-hexoxy-3-methoxyphenyl)-N-(2-methoxy-5-methylphenyl)prop-2-enamide
CID 3271455
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-fluoro-4-methylphenyl)prop-2-enamide
CID 26683538
(E)-3-[2-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]-N-(2,5-dimethylphenyl)prop-2-enamide
CID 51058119

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The IUPAC name of (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide (CID 51058331) is (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is COc1cc(/C=C/C(=O)Nc2cc(C)ccc2C)ccc1OCc1ccc(F)cc1.
What is the InChIKey of (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
The InChIKey is DIDVZBLMJWUPIL-UKTHLTGXSA-N. The full InChI is InChI=1S/C25H24FNO3/c1-17-4-5-18(2)22(14-17)27-25(28)13-9-19-8-12-23(24(15-19)29-3)30-16-20-6-10-21(26)11-7-20/h4-15H,16H2,1-3H3,(H,27,28)/b13-9+.
What are the key properties of (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide?
(E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide has a molecular weight of 405.47 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2,5-dimethylphenyl)-3-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]prop-2-enamide is sourced from PubChem (CID 51058331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).