(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

C19H18F3NO4 — CID 46442777

IUPAC(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1ccc(OCCNC(=O)/C=C/c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO4/c1-25-15-7-9-16(10-8-15)26-13-12-23-18(24)11-6-14-4-2-3-5-17(14)27-19(20,21)22/h2-11H,12-13H2,1H3,(H,23,24)/b11-6+
InChIKeyABHHKBHFAVOJND-IZZDOVSWSA-N
MW381.35 g/mol
LogP3.80
Rot. Bonds8

About (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide

(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (PubChem CID 46442777) has the molecular formula C19H18F3NO4 and a molecular weight of 381.35 g/mol. Its IUPAC name is (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
PubChem CID46442777
Molecular FormulaC19H18F3NO4
Molecular Weight381.35 g/mol
Exact Mass381.12
IUPAC Name(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
SMILESCOc1ccc(OCCNC(=O)/C=C/c2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C19H18F3NO4/c1-25-15-7-9-16(10-8-15)26-13-12-23-18(24)11-6-14-4-2-3-5-17(14)27-19(20,21)22/h2-11H,12-13H2,1H3,(H,23,24)/b11-6+
InChIKeyABHHKBHFAVOJND-IZZDOVSWSA-N
XLogP3.80
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-[4-(hydroxycarbamothioyl)phenoxy]ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 87640882
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-3-(2-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]prop-2-enamide
CID 768479
(E)-3-[4-(difluoromethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 26710370
(E)-3-[2-(difluoromethoxy)phenyl]-N-(3-phenoxypropyl)prop-2-enamide
CID 33175801
(E)-3-(2-bromophenyl)-N-[2-(2-methoxyphenoxy)ethyl]prop-2-enamide
CID 26555515
(E)-4-[2-(4-methoxyphenoxy)ethylamino]-4-oxobut-2-enoic acid
CID 82036708
(E)-N-[3-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide
CID 44535406
(E)-3-(4-methoxy-2,6-dimethylphenyl)-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 84557468
(E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-[2-(3-methylphenoxy)ethyl]prop-2-enamide
CID 31368150
(E)-N-[(6-methoxynaphthalen-2-yl)methyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 46524786
(E)-3-[4-(cyanomethoxy)phenyl]-N-[2-(4-methoxyphenoxy)ethyl]prop-2-enamide
CID 27174006

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide (CID 46442777) is (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is COc1ccc(OCCNC(=O)/C=C/c2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
The InChIKey is ABHHKBHFAVOJND-IZZDOVSWSA-N. The full InChI is InChI=1S/C19H18F3NO4/c1-25-15-7-9-16(10-8-15)26-13-12-23-18(24)11-6-14-4-2-3-5-17(14)27-19(20,21)22/h2-11H,12-13H2,1H3,(H,23,24)/b11-6+.
What are the key properties of (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide?
(E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide has a molecular weight of 381.35 g/mol, XLogP of 3.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(4-methoxyphenoxy)ethyl]-3-[2-(trifluoromethoxy)phenyl]prop-2-enamide is sourced from PubChem (CID 46442777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).