(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide

C13H17NO2 — CID 134119682

IUPAC(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1cccc(OCC)c1
InChIInChI=1S/C13H17NO2/c1-4-10(3)13(15)14-11-7-6-8-12(9-11)16-5-2/h4,6-9H,5H2,1-3H3,(H,14,15)/b10-4+
InChIKeyLRXATJKJOUZYAG-ONNFQVAWSA-N
MW219.28 g/mol
LogP2.99
Rot. Bonds4

About (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide

(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide (PubChem CID 134119682) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
PubChem CID134119682
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide
SMILESC/C=C(\C)C(=O)Nc1cccc(OCC)c1
InChIInChI=1S/C13H17NO2/c1-4-10(3)13(15)14-11-7-6-8-12(9-11)16-5-2/h4,6-9H,5H2,1-3H3,(H,14,15)/b10-4+
InChIKeyLRXATJKJOUZYAG-ONNFQVAWSA-N
XLogP2.99
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 ≤ 52.99
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-(3-ethoxyphenyl)-3-oxobutanamide
CID 3532534
1-(3-ethoxyphenyl)-3-methylurea
CID 115584262
[3-[[(E)-2-methylbut-2-enoyl]amino]phenyl] N-methylcarbamate
CID 6070588
3-(3-ethoxyanilino)-3-oxopropanoic acid
CID 62231404
2-ethoxy-N-(3-ethoxyphenyl)acetamide
CID 61062065
6-(3-ethoxyanilino)-6-oxohexanoic acid
CID 54866810
N-(4-ethoxyphenyl)-N'-(3-methylphenyl)oxamide
CID 44996305
tert-butyl N-(3-ethoxyphenyl)carbamate
CID 17098158
ethyl (E)-4-(3-ethoxyanilino)-4-oxobut-2-enoate
CID 17098084
(3-acetamidophenyl) 3-ethoxybenzoate
CID 780025
2-amino-N-(3-ethoxyphenyl)-3-phenylpropanamide
CID 60927036
1-(3-ethoxyphenyl)-3-(4-ethylphenyl)urea
CID 11536518

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide?
The IUPAC name of (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide (CID 134119682) is (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide.
What is the SMILES notation for (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide?
The canonical SMILES for (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide is C/C=C(\C)C(=O)Nc1cccc(OCC)c1.
What is the InChIKey of (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide?
The InChIKey is LRXATJKJOUZYAG-ONNFQVAWSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-10(3)13(15)14-11-7-6-8-12(9-11)16-5-2/h4,6-9H,5H2,1-3H3,(H,14,15)/b10-4+.
What are the key properties of (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide?
(E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-ethoxyphenyl)-2-methylbut-2-enamide is sourced from PubChem (CID 134119682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).