3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide

C14H17F2NO3 — CID 73422099

IUPAC3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
SMILESCOCC(C)NC(=O)C=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c1-10(9-19-2)17-13(18)8-5-11-3-6-12(7-4-11)20-14(15)16/h3-8,10,14H,9H2,1-2H3,(H,17,18)
InChIKeyYTXSNXAZWZBHMB-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.45
Rot. Bonds7

About 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide

3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide (PubChem CID 73422099) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide.

Molecular Properties

Compound Name3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
PubChem CID73422099
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
SMILESCOCC(C)NC(=O)C=Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C14H17F2NO3/c1-10(9-19-2)17-13(18)8-5-11-3-6-12(7-4-11)20-14(15)16/h3-8,10,14H,9H2,1-2H3,(H,17,18)
InChIKeyYTXSNXAZWZBHMB-UHFFFAOYSA-N
XLogP2.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.45
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-[4-(difluoromethoxy)phenyl]-N-[(2R)-4-phenylbutan-2-yl]prop-2-enamide
CID 7958328
(2S)-2-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-N-propylpropanamide
CID 7993031
methyl (E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoate
CID 78906321
(E)-3-(3,5-dimethoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 18169436
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
(E)-3-(4-methoxyphenyl)-N-[1-(4-methylphenoxy)propan-2-yl]prop-2-enamide
CID 132651003
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(4-methylphenyl)methyl]prop-2-enamide
CID 7916746
(E)-3-[4-(diethylsulfamoyl)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 51144295
propan-2-yl 3-[[(E)-3-[4-(difluoromethoxy)phenyl]prop-2-enoyl]amino]-3-(4-methoxyphenyl)propanoate
CID 24516732
(E)-3-[4-(difluoromethoxy)phenyl]-N-[(2-methoxyphenyl)methyl]prop-2-enamide
CID 18075413
(E)-3-(4-tert-butylphenyl)-N-[(2R)-1-(4-methoxyphenoxy)propan-2-yl]prop-2-enamide
CID 99998157
3-(4-butoxy-3-methoxyphenyl)-N-(1-methoxypropan-2-yl)prop-2-enamide
CID 78770033

Frequently Asked Questions

What is the IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide?
The IUPAC name of 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide (CID 73422099) is 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide.
What is the SMILES notation for 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide?
The canonical SMILES for 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide is COCC(C)NC(=O)C=Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide?
The InChIKey is YTXSNXAZWZBHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c1-10(9-19-2)17-13(18)8-5-11-3-6-12(7-4-11)20-14(15)16/h3-8,10,14H,9H2,1-2H3,(H,17,18).
What are the key properties of 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide?
3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide has a molecular weight of 285.29 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(difluoromethoxy)phenyl]-N-(1-methoxypropan-2-yl)prop-2-enamide is sourced from PubChem (CID 73422099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).