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

C18H25NO2 — CID 72688518

IUPACN-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-4-5-6-7-18(20)19-13-12-16-8-10-17(11-9-16)21-14-15(2)3/h4-11,15H,12-14H2,1-3H3,(H,19,20)
InChIKeyGOLLIQFRYHBZQB-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.51
Rot. Bonds8

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

N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide (PubChem CID 72688518) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide.

Molecular Properties

Compound NameN-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide
PubChem CID72688518
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC NameN-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide
SMILESCC=CC=CC(=O)NCCc1ccc(OCC(C)C)cc1
InChIInChI=1S/C18H25NO2/c1-4-5-6-7-18(20)19-13-12-16-8-10-17(11-9-16)21-14-15(2)3/h4-11,15H,12-14H2,1-3H3,(H,19,20)
InChIKeyGOLLIQFRYHBZQB-UHFFFAOYSA-N
XLogP3.51
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]hexa-2,4-dienamide
CID 75266228
(2E,4E)-N-[2-(4-aminophenoxy)ethyl]hexa-2,4-dienamide
CID 63238331
N-[2-(4-aminophenyl)ethyl]-2-[4-(2-methylpropoxy)phenyl]acetamide;hydrochloride
CID 119548271
(2E,4E)-N-[2-(4-methoxyphenyl)ethyl]deca-2,4-dienamide
CID 14427405
N-[2-(4-methylphenyl)ethyl]but-2-enamide
CID 91331870
(2S)-2-amino-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119320730
3-[4-(2-methylpropoxy)phenyl]propanehydrazide
CID 164513636
(2E,4E)-N-[2-[4-(azepan-1-ylsulfonyl)phenyl]ethyl]hexa-2,4-dienamide
CID 108736448
4-hydroxy-N-[2-[4-(2-methylpropoxy)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 119778712
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
1-(2-chloroethyl)-4-(2-methylpropoxy)benzene
CID 96658060
1,3-bis[[4-(2-methylpropoxy)phenyl]methyl]urea;ethane
CID 143580549

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide?
The IUPAC name of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide (CID 72688518) is N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide.
What is the SMILES notation for N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide?
The canonical SMILES for N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide is CC=CC=CC(=O)NCCc1ccc(OCC(C)C)cc1.
What is the InChIKey of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide?
The InChIKey is GOLLIQFRYHBZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-4-5-6-7-18(20)19-13-12-16-8-10-17(11-9-16)21-14-15(2)3/h4-11,15H,12-14H2,1-3H3,(H,19,20).
What are the key properties of N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide?
N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide has a molecular weight of 287.40 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methylpropoxy)phenyl]ethyl]hexa-2,4-dienamide is sourced from PubChem (CID 72688518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).