(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide

C16H21NO — CID 5281870

IUPAC(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/Cc1ccccc1
InChIInChI=1S/C16H21NO/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+
InChIKeyAPSXSFZATMGGAT-HCFISPQYSA-N
MW243.35 g/mol
LogP3.11
Rot. Bonds6

About (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide

(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide (PubChem CID 5281870) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
PubChem CID5281870
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)CNC(=O)/C=C/C=C/Cc1ccccc1
InChIInChI=1S/C16H21NO/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+
InChIKeyAPSXSFZATMGGAT-HCFISPQYSA-N
XLogP3.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

(2E,4E)-N-(2-methylpropyl)-6-naphthalen-2-ylhexa-2,4-dienamide
CID 13477078
N-(2-methylpropyl)-9-phenylnona-2,4-dienamide
CID 90802349
(E)-N-(2-methylpropyl)-3-(2-phenylethylsulfanyl)prop-2-enamide
CID 134093332
(2E)-7-(2-methylphenyl)-N-(2-methylpropyl)hepta-2,4-dienamide
CID 88614180
(2E,4E)-N-(2-methylpropyl)-6-oxohepta-2,4-dienamide
CID 25195169
(2E,4E)-N-(2-methylpropyl)-9-(1-phenylethoxy)nona-2,4-dienamide
CID 88710784
(2E,4E)-N-(2-methylpropyl)-8-naphthalen-2-ylocta-2,4-dienamide
CID 88635219
(2Z,4Z)-N,N'-dibenzylhexa-2,4-dienediamide
CID 102438932
4-phenyl-N-propylbut-2-enamide
CID 154634438
(2E,4E,6Z,8Z)-N-(2-methylpropyl)dodeca-2,4,6,8-tetraenamide
CID 175711571
(2E)-N-(2-methylpropyl)tetradeca-2,4,6,8,10-pentaenamide
CID 149163052
(2E,4E)-N-(2-methylpropyl)-8-[3-(trifluoromethyl)phenyl]octa-2,4-dienamide
CID 88635399

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide (CID 5281870) is (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide is CC(C)CNC(=O)/C=C/C=C/Cc1ccccc1.
What is the InChIKey of (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The InChIKey is APSXSFZATMGGAT-HCFISPQYSA-N. The full InChI is InChI=1S/C16H21NO/c1-14(2)13-17-16(18)12-8-4-7-11-15-9-5-3-6-10-15/h3-10,12,14H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+.
What are the key properties of (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide?
(2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide has a molecular weight of 243.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-methylpropyl)-6-phenylhexa-2,4-dienamide is sourced from PubChem (CID 5281870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).