(E)-2-(4-methoxyphenyl)hex-2-enamide

C13H17NO2 — CID 67977554

IUPAC(E)-2-(4-methoxyphenyl)hex-2-enamide
SMILESCCC/C=C(/C(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-3-4-5-12(13(14)15)10-6-8-11(16-2)9-7-10/h5-9H,3-4H2,1-2H3,(H2,14,15)/b12-5+
InChIKeySJWAVCJGOAHVQA-LFYBBSHMSA-N
MW219.28 g/mol
LogP2.36
Rot. Bonds5

About (E)-2-(4-methoxyphenyl)hex-2-enamide

(E)-2-(4-methoxyphenyl)hex-2-enamide (PubChem CID 67977554) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (E)-2-(4-methoxyphenyl)hex-2-enamide.

Molecular Properties

Compound Name(E)-2-(4-methoxyphenyl)hex-2-enamide
PubChem CID67977554
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(E)-2-(4-methoxyphenyl)hex-2-enamide
SMILESCCC/C=C(/C(N)=O)c1ccc(OC)cc1
InChIInChI=1S/C13H17NO2/c1-3-4-5-12(13(14)15)10-6-8-11(16-2)9-7-10/h5-9H,3-4H2,1-2H3,(H2,14,15)/b12-5+
InChIKeySJWAVCJGOAHVQA-LFYBBSHMSA-N
XLogP2.36
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.36
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

(E)-2,3-bis(4-methoxyphenyl)prop-2-enamide
CID 11358044
1-methoxy-4-oct-4-en-4-ylbenzene
CID 72965234
(E)-2-(4-fluorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 143788230
1-[(E)-dec-5-en-5-yl]-4-methoxybenzene
CID 102307360
(Z)-3-hydroxy-3-(4-methoxyphenyl)prop-2-enamide
CID 54694629
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
1-(4-methoxyphenyl)hexane-1,2-dione
CID 122382011
ethyl (E)-3-(4-methoxyphenyl)-2-methylbut-2-enoate
CID 14981539
ethyl acetate;4-methoxybenzoic acid
CID 158342660
4-methoxy-N-pentanoylbenzamide
CID 175364766
methyl (Z)-7-amino-7-(4-methoxyphenyl)hept-6-enoate
CID 163449176

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-methoxyphenyl)hex-2-enamide?
The IUPAC name of (E)-2-(4-methoxyphenyl)hex-2-enamide (CID 67977554) is (E)-2-(4-methoxyphenyl)hex-2-enamide.
What is the SMILES notation for (E)-2-(4-methoxyphenyl)hex-2-enamide?
The canonical SMILES for (E)-2-(4-methoxyphenyl)hex-2-enamide is CCC/C=C(/C(N)=O)c1ccc(OC)cc1.
What is the InChIKey of (E)-2-(4-methoxyphenyl)hex-2-enamide?
The InChIKey is SJWAVCJGOAHVQA-LFYBBSHMSA-N. The full InChI is InChI=1S/C13H17NO2/c1-3-4-5-12(13(14)15)10-6-8-11(16-2)9-7-10/h5-9H,3-4H2,1-2H3,(H2,14,15)/b12-5+.
What are the key properties of (E)-2-(4-methoxyphenyl)hex-2-enamide?
(E)-2-(4-methoxyphenyl)hex-2-enamide has a molecular weight of 219.28 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-methoxyphenyl)hex-2-enamide is sourced from PubChem (CID 67977554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).