(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide

C13H17NO2 — CID 134086963

IUPAC(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-4-10(2)13(15)14-9-11-5-7-12(16-3)8-6-11/h4-8H,9H2,1-3H3,(H,14,15)/b10-4+
InChIKeyWMRGWHHJZLDIQW-ONNFQVAWSA-N
MW219.28 g/mol
LogP2.28
Rot. Bonds4

About (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide

(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide (PubChem CID 134086963) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
PubChem CID134086963
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)NCc1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-4-10(2)13(15)14-9-11-5-7-12(16-3)8-6-11/h4-8H,9H2,1-3H3,(H,14,15)/b10-4+
InChIKeyWMRGWHHJZLDIQW-ONNFQVAWSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.28
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

N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
2-amino-N-[(4-methoxyphenyl)methyl]-2-sulfanylideneacetamide
CID 89181014
N-[(4-methoxyphenyl)methyl]-4-oxopentanamide
CID 60636923
N-(3-chloropropyl)-N'-[(4-methoxyphenyl)methyl]oxamide
CID 108508151
N-[2-(4-methoxyphenyl)ethyl]-N'-(pyridin-4-ylmethyl)oxamide
CID 2272217
N-[(4-methoxyphenyl)methyl]-2-sulfanylacetamide
CID 58957123
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]pentanamide
CID 2169969
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 898309
(2S)-2-hydroxy-N-[(4-methoxyphenyl)methyl]propanamide
CID 175748311
2-cyclohexylidene-2-fluoro-N-[(4-methoxyphenyl)methyl]acetamide
CID 86005665

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide?
The IUPAC name of (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide (CID 134086963) is (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide is C/C=C(\C)C(=O)NCc1ccc(OC)cc1.
What is the InChIKey of (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide?
The InChIKey is WMRGWHHJZLDIQW-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-10(2)13(15)14-9-11-5-7-12(16-3)8-6-11/h4-8H,9H2,1-3H3,(H,14,15)/b10-4+.
What are the key properties of (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide?
(E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(4-methoxyphenyl)methyl]-2-methylbut-2-enamide is sourced from PubChem (CID 134086963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).