(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide

C19H25F2NO3 — CID 55572025

IUPAC(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N(CCC(C)C)C2CC2)c1OC(F)F
InChIInChI=1S/C19H25F2NO3/c1-13(2)11-12-22(15-8-9-15)17(23)10-7-14-5-4-6-16(24-3)18(14)25-19(20)21/h4-7,10,13,15,19H,8-9,11-12H2,1-3H3/b10-7+
InChIKeyOPEZOGPCYUEVPE-JXMROGBWSA-N
MW353.41 g/mol
LogP4.35
Rot. Bonds9

About (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide

(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide (PubChem CID 55572025) has the molecular formula C19H25F2NO3 and a molecular weight of 353.41 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
PubChem CID55572025
Molecular FormulaC19H25F2NO3
Molecular Weight353.41 g/mol
Exact Mass353.18
IUPAC Name(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
SMILESCOc1cccc(/C=C/C(=O)N(CCC(C)C)C2CC2)c1OC(F)F
InChIInChI=1S/C19H25F2NO3/c1-13(2)11-12-22(15-8-9-15)17(23)10-7-14-5-4-6-16(24-3)18(14)25-19(20)21/h4-7,10,13,15,19H,8-9,11-12H2,1-3H3/b10-7+
InChIKeyOPEZOGPCYUEVPE-JXMROGBWSA-N
XLogP4.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-cyclopropylethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 75129047
cyclohexyl (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 60599243
[(2S)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8974951
[(2R)-1-(cycloheptylamino)-1-oxopropan-2-yl] (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 8974959
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-prop-2-enylprop-2-enamide
CID 9207550
(Z)-N-(cyanomethyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(2,2,2-trifluoroethyl)prop-2-enamide
CID 97378359
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methoxypropyl)prop-2-enamide
CID 51204733
(E)-N-(3-cyanophenyl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-propan-2-ylprop-2-enamide
CID 60615241
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
CID 46588602
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 99181591
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442
(E)-N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 27675118

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide (CID 55572025) is (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide is COc1cccc(/C=C/C(=O)N(CCC(C)C)C2CC2)c1OC(F)F.
What is the InChIKey of (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide?
The InChIKey is OPEZOGPCYUEVPE-JXMROGBWSA-N. The full InChI is InChI=1S/C19H25F2NO3/c1-13(2)11-12-22(15-8-9-15)17(23)10-7-14-5-4-6-16(24-3)18(14)25-19(20)21/h4-7,10,13,15,19H,8-9,11-12H2,1-3H3/b10-7+.
What are the key properties of (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide?
(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide has a molecular weight of 353.41 g/mol, XLogP of 4.35, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide is sourced from PubChem (CID 55572025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).