(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C22H26FNO4 — CID 74228960

IUPAC(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)NC(C)(C)Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H26FNO4/c1-22(2,14-15-6-9-17(23)10-7-15)24-20(25)11-8-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-13H,14H2,1-5H3,(H,24,25)/b11-8-
InChIKeyIAJDDNJMALYGFE-FLIBITNWSA-N
MW387.45 g/mol
LogP4.00
Rot. Bonds8

About (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 74228960) has the molecular formula C22H26FNO4 and a molecular weight of 387.45 g/mol. Its IUPAC name is (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID74228960
Molecular FormulaC22H26FNO4
Molecular Weight387.45 g/mol
Exact Mass387.18
IUPAC Name(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C\C(=O)NC(C)(C)Cc2ccc(F)cc2)cc(OC)c1OC
InChIInChI=1S/C22H26FNO4/c1-22(2,14-15-6-9-17(23)10-7-15)24-20(25)11-8-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-13H,14H2,1-5H3,(H,24,25)/b11-8-
InChIKeyIAJDDNJMALYGFE-FLIBITNWSA-N
XLogP4.00
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4,5-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 4820287
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] (E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2534157
(E)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 24891432
[2-(4-fluorophenyl)-2-oxoethyl] (Z)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
CID 2365432
N-(3-ethylpent-1-yn-3-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 3377459
(E)-N-[2-(methylcarbamothioylamino)pentan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 139462760
(E)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 26594326
3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 898590
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
N-(1-amino-2-methylpropan-2-yl)-3-(4-fluorophenyl)prop-2-enamide
CID 76988226
(E)-N-[2-(2-fluorophenyl)-2-methoxypropyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 90599191
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 74228960) is (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C\C(=O)NC(C)(C)Cc2ccc(F)cc2)cc(OC)c1OC.
What is the InChIKey of (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is IAJDDNJMALYGFE-FLIBITNWSA-N. The full InChI is InChI=1S/C22H26FNO4/c1-22(2,14-15-6-9-17(23)10-7-15)24-20(25)11-8-16-12-18(26-3)21(28-5)19(13-16)27-4/h6-13H,14H2,1-5H3,(H,24,25)/b11-8-.
What are the key properties of (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 387.45 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 74228960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).