(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

C19H21NO2 — CID 966729

IUPAC(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)20-18(21)10-9-16-7-5-6-8-17(16)22-4/h5-12H,1-4H3,(H,20,21)/b10-9+
InChIKeyMDQNUHZCZVBFDG-MDZDMXLPSA-N
MW295.38 g/mol
LogP4.27
Rot. Bonds4

About (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide

(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide (PubChem CID 966729) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
PubChem CID966729
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)Nc1c(C)cc(C)cc1C
InChIInChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)20-18(21)10-9-16-7-5-6-8-17(16)22-4/h5-12H,1-4H3,(H,20,21)/b10-9+
InChIKeyMDQNUHZCZVBFDG-MDZDMXLPSA-N
XLogP4.27
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-naphthalen-1-yl-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 5178128
(E)-N-(2-hydroxy-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 2688131
(E)-N-(3,5-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 9096903
N-(2-bromo-4-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4199464
N-(4-chloro-2-methoxy-5-methylphenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734246
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
5-[[(E)-3-(2-methoxyphenyl)prop-2-enoyl]amino]-2-methylbenzoic acid
CID 17297353
(E)-3-(3-bromo-4-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide
CID 1184644
(E)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-3-(2-methoxyphenyl)prop-2-enamide
CID 28580052
(E)-N-(4-iodophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 1308180
(E)-N-(2-bromophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 734257
N-(2,4-difluorophenyl)-3-(2-methoxyphenyl)prop-2-enamide
CID 4023340

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide (CID 966729) is (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is COc1ccccc1/C=C/C(=O)Nc1c(C)cc(C)cc1C.
What is the InChIKey of (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
The InChIKey is MDQNUHZCZVBFDG-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H21NO2/c1-13-11-14(2)19(15(3)12-13)20-18(21)10-9-16-7-5-6-8-17(16)22-4/h5-12H,1-4H3,(H,20,21)/b10-9+.
What are the key properties of (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide?
(E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-methoxyphenyl)-N-(2,4,6-trimethylphenyl)prop-2-enamide is sourced from PubChem (CID 966729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).