(E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide

C17H25NO2 — CID 134918054

IUPAC(E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide
SMILESCCCCCCNC(=O)C(/C=C/c1ccccc1)OC
InChIInChI=1S/C17H25NO2/c1-3-4-5-9-14-18-17(19)16(20-2)13-12-15-10-7-6-8-11-15/h6-8,10-13,16H,3-5,9,14H2,1-2H3,(H,18,19)/b13-12+
InChIKeyZNOXTCYXHPXDAA-OUKQBFOZSA-N
MW275.39 g/mol
LogP3.41
Rot. Bonds9

About (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide

(E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide (PubChem CID 134918054) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide.

Molecular Properties

Compound Name(E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide
PubChem CID134918054
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide
SMILESCCCCCCNC(=O)C(/C=C/c1ccccc1)OC
InChIInChI=1S/C17H25NO2/c1-3-4-5-9-14-18-17(19)16(20-2)13-12-15-10-7-6-8-11-15/h6-8,10-13,16H,3-5,9,14H2,1-2H3,(H,18,19)/b13-12+
InChIKeyZNOXTCYXHPXDAA-OUKQBFOZSA-N
XLogP3.41
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopentylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2355331
[2-(Benzylamino)-2-oxoethyl] 2-methylprop-2-enoate
CID 2447792
2-Hydroxy-n-(2-phenylethyl)propanamide
CID 223430
[2-[2-(cyclohexen-1-yl)ethylamino]-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 2366888
[2-oxo-2-(propylamino)ethyl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 2413673
2-(cyclohexylamino)-2-oxoethyl (2E)-3-phenylprop-2-enoate
CID 2509328
(5Z)-N-benzyl-5-ethylidene-4-(2-methylprop-1-enyl)-2-(trifluoromethyl)pyran-2-carboxamide
CID 16725169
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-phenylprop-2-enoate
CID 25162572
[2-(cycloheptylamino)-2-oxoethyl] (E)-3-phenylprop-2-enoate
CID 6219683
N-benzyl-2-methoxyacetamide
CID 836024
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] (E)-3-phenylprop-2-enoate
CID 6166634
[1-[(2-methylcyclohexyl)amino]-1-oxopropan-2-yl] (E)-3-(3-fluorophenyl)prop-2-enoate
CID 24820048

Frequently Asked Questions

What is the IUPAC name of (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide?
The IUPAC name of (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide (CID 134918054) is (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide.
What is the SMILES notation for (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide?
The canonical SMILES for (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide is CCCCCCNC(=O)C(/C=C/c1ccccc1)OC.
What is the InChIKey of (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide?
The InChIKey is ZNOXTCYXHPXDAA-OUKQBFOZSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-4-5-9-14-18-17(19)16(20-2)13-12-15-10-7-6-8-11-15/h6-8,10-13,16H,3-5,9,14H2,1-2H3,(H,18,19)/b13-12+.
What are the key properties of (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide?
(E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide has a molecular weight of 275.39 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hexyl-2-methoxy-4-phenylbut-3-enamide is sourced from PubChem (CID 134918054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).