(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide

C21H20F3NO2 — CID 46588602

IUPAC(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C21H20F3NO2/c1-27-19-5-3-2-4-16(19)8-13-20(26)25(18-11-12-18)14-15-6-9-17(10-7-15)21(22,23)24/h2-10,13,18H,11-12,14H2,1H3/b13-8+
InChIKeyYMWWZGYZKBMDGM-MDWZMJQESA-N
MW375.39 g/mol
LogP4.92
Rot. Bonds6

About (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide

(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (PubChem CID 46588602) has the molecular formula C21H20F3NO2 and a molecular weight of 375.39 g/mol. Its IUPAC name is (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
PubChem CID46588602
Molecular FormulaC21H20F3NO2
Molecular Weight375.39 g/mol
Exact Mass375.14
IUPAC Name(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1
InChIInChI=1S/C21H20F3NO2/c1-27-19-5-3-2-4-16(19)8-13-20(26)25(18-11-12-18)14-15-6-9-17(10-7-15)21(22,23)24/h2-10,13,18H,11-12,14H2,1H3/b13-8+
InChIKeyYMWWZGYZKBMDGM-MDWZMJQESA-N
XLogP4.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 134004442
(E)-N-cyclopropyl-3-(3,4-dimethoxyphenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 31748213
(E)-N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 60584326
N-benzyl-N-(cyclobutylmethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 76870370
(E)-N-cyclopropyl-3-(2,5-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]prop-2-enamide
CID 18198598
(E)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 134059120
N-cyclopropyl-N-(pyridin-3-ylmethyl)-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 126809277
(E)-N-benzyl-N-(2-hydroxyethyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 78854558
(Z)-1,1,1-trifluoro-4-(2-methoxyphenyl)but-3-en-2-one
CID 23274353
(E)-N-cyclopropyl-3-[2-(difluoromethoxy)-3-methoxyphenyl]-N-(3-methylbutyl)prop-2-enamide
CID 55572025
2-[cyclopropyl-[(Z)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 129408081
2-[cyclopropyl-[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]acetic acid
CID 60826708

Frequently Asked Questions

What is the IUPAC name of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide (CID 46588602) is (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is COc1ccccc1/C=C/C(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1.
What is the InChIKey of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is YMWWZGYZKBMDGM-MDWZMJQESA-N. The full InChI is InChI=1S/C21H20F3NO2/c1-27-19-5-3-2-4-16(19)8-13-20(26)25(18-11-12-18)14-15-6-9-17(10-7-15)21(22,23)24/h2-10,13,18H,11-12,14H2,1H3/b13-8+.
What are the key properties of (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide?
(E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 375.39 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-cyclopropyl-3-(2-methoxyphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 46588602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).