(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide

C19H21NO2 — CID 707164

IUPAC(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H21NO2/c1-14(2)17-6-4-5-7-18(17)20-19(21)13-10-15-8-11-16(22-3)12-9-15/h4-14H,1-3H3,(H,20,21)/b13-10+
InChIKeyYQJGZQWCLQNJPP-JLHYYAGUSA-N
MW295.38 g/mol
LogP4.47
Rot. Bonds5

About (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide

(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide (PubChem CID 707164) has the molecular formula C19H21NO2 and a molecular weight of 295.38 g/mol. Its IUPAC name is (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
PubChem CID707164
Molecular FormulaC19H21NO2
Molecular Weight295.38 g/mol
Exact Mass295.16
IUPAC Name(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1
InChIInChI=1S/C19H21NO2/c1-14(2)17-6-4-5-7-18(17)20-19(21)13-10-15-8-11-16(22-3)12-9-15/h4-14H,1-3H3,(H,20,21)/b13-10+
InChIKeyYQJGZQWCLQNJPP-JLHYYAGUSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 54.47
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-(4-methoxyphenyl)-N-(2-methylphenyl)prop-2-enamide
CID 5036068
(E)-N-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773591
3-(3-bromo-4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 5099183
3-(4-methoxyphenyl)-N-naphthalen-1-ylprop-2-enamide
CID 668259
(E)-N-(2-propan-2-ylphenyl)-3-[4-(pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 46546321
methyl (E)-4-oxo-4-(2-propan-2-ylanilino)but-2-enoate
CID 851932
(E)-N-(2-ethylsulfanylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 30377596
(E)-3-(4-methoxyphenyl)-N-(2-phenoxyphenyl)prop-2-enamide
CID 896961
N-(2,3-dimethylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 668253
(E)-N-(2-benzoylphenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 99996652
(E)-3-[4-(cyanomethoxy)-3-methoxyphenyl]-N-(2-propan-2-ylphenyl)prop-2-enamide
CID 7959290
(E)-N-[(1S)-1-(2-bromophenyl)ethyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 9220065

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide (CID 707164) is (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccccc2C(C)C)cc1.
What is the InChIKey of (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
The InChIKey is YQJGZQWCLQNJPP-JLHYYAGUSA-N. The full InChI is InChI=1S/C19H21NO2/c1-14(2)17-6-4-5-7-18(17)20-19(21)13-10-15-8-11-16(22-3)12-9-15/h4-14H,1-3H3,(H,20,21)/b13-10+.
What are the key properties of (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide?
(E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide has a molecular weight of 295.38 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-methoxyphenyl)-N-(2-propan-2-ylphenyl)prop-2-enamide is sourced from PubChem (CID 707164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).