N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide

C15H19NO2 — CID 75266228

IUPACN-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-3-4-5-6-15(17)16-11-12-18-14-9-7-13(2)8-10-14/h3-10H,11-12H2,1-2H3,(H,16,17)
InChIKeyZXFKOCDWFBPPEZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.62
Rot. Bonds6

About N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide

N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide (PubChem CID 75266228) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
PubChem CID75266228
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCCOc1ccc(C)cc1
InChIInChI=1S/C15H19NO2/c1-3-4-5-6-15(17)16-11-12-18-14-9-7-13(2)8-10-14/h3-10H,11-12H2,1-2H3,(H,16,17)
InChIKeyZXFKOCDWFBPPEZ-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide
CID 63238331
(E)-3-(2-ethoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 9366008
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(2-nitrophenyl)prop-2-enamide
CID 9366323
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide
CID 72688518
(E)-N-[2-(4-methylphenoxy)ethyl]-3-(4-phenylmethoxyphenyl)prop-2-enamide
CID 19175905
(E)-3-(3-methoxyphenyl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 7761266
1-ethyl-3-[2-(4-methylphenoxy)ethyl]urea
CID 47103272
N-[2-(4-methylphenoxy)ethyl]-2-(4-methylphenyl)acetamide
CID 40724453
N-[2-(4-methylphenoxy)ethyl]pentanamide
CID 19174784
(E)-4-[2-(4-methoxyphenoxy)ethylamino]-4-oxobut-2-enoic acid
CID 82036708
N-[3-(4-methylphenoxy)propyl]acetamide
CID 58966904
3-(1,3-benzothiazol-2-yl)-N-[2-(4-methylphenoxy)ethyl]prop-2-enamide
CID 76859799

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide (CID 75266228) is N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCCOc1ccc(C)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide?
The InChIKey is ZXFKOCDWFBPPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-4-5-6-15(17)16-11-12-18-14-9-7-13(2)8-10-14/h3-10H,11-12H2,1-2H3,(H,16,17).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide?
N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide has a molecular weight of 245.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 75266228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).