(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide

C21H22F2N2O3 — CID 55754734

IUPAC(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1c(F)cccc1F
InChIInChI=1S/C21H22F2N2O3/c1-3-13-25(14-20(26)24-18-9-4-5-10-19(18)28-2)21(27)12-11-15-16(22)7-6-8-17(15)23/h4-12H,3,13-14H2,1-2H3,(H,24,26)/b12-11+
InChIKeyFDTAPXOGWHUZNC-VAWYXSNFSA-N
MW388.41 g/mol
LogP3.86
Rot. Bonds8

About (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide

(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide (PubChem CID 55754734) has the molecular formula C21H22F2N2O3 and a molecular weight of 388.41 g/mol. Its IUPAC name is (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
PubChem CID55754734
Molecular FormulaC21H22F2N2O3
Molecular Weight388.41 g/mol
Exact Mass388.16
IUPAC Name(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
SMILESCCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1c(F)cccc1F
InChIInChI=1S/C21H22F2N2O3/c1-3-13-25(14-20(26)24-18-9-4-5-10-19(18)28-2)21(27)12-11-15-16(22)7-6-8-17(15)23/h4-12H,3,13-14H2,1-2H3,(H,24,26)/b12-11+
InChIKeyFDTAPXOGWHUZNC-VAWYXSNFSA-N
XLogP3.86
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.86
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-(2-bromophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide
CID 76856671
(E)-N-[2-(2-methoxyanilino)-2-oxoethyl]-3-(2-methyl-1,3-thiazol-4-yl)-N-propylprop-2-enamide
CID 55485693
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylacetamide
CID 119267704
4-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbutanamide
CID 119267716
2-bromo-5-fluoro-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylbenzamide
CID 134008468
2-amino-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylpentanamide;hydrochloride
CID 119267711
2-(N-acetyl-2,6-difluoroanilino)-N-(2-methoxyphenyl)acetamide
CID 113181493
3-[acetyl(propyl)amino]-N-(2-methoxyphenyl)propanamide
CID 113115042
2-[(2-benzylsulfanylacetyl)-propylamino]-N-(2-methoxyphenyl)acetamide
CID 8620896
2-[[2-(2-methoxyanilino)-2-oxoethyl]-propylamino]-N-prop-2-enylacetamide
CID 27239631
2-[butyl(methyl)amino]-N-(2-methoxyphenyl)acetamide
CID 109006138
2-ethyl-N-[2-(2-methoxyanilino)-2-oxoethyl]-4-methyl-N-propyl-1,3-thiazole-5-carboxamide
CID 49318199

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The IUPAC name of (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide (CID 55754734) is (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The canonical SMILES for (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide is CCCN(CC(=O)Nc1ccccc1OC)C(=O)/C=C/c1c(F)cccc1F.
What is the InChIKey of (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
The InChIKey is FDTAPXOGWHUZNC-VAWYXSNFSA-N. The full InChI is InChI=1S/C21H22F2N2O3/c1-3-13-25(14-20(26)24-18-9-4-5-10-19(18)28-2)21(27)12-11-15-16(22)7-6-8-17(15)23/h4-12H,3,13-14H2,1-2H3,(H,24,26)/b12-11+.
What are the key properties of (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide?
(E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide has a molecular weight of 388.41 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-difluorophenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]-N-propylprop-2-enamide is sourced from PubChem (CID 55754734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).