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

C16H21NO2 — CID 6449397

IUPAC(2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)(O)CNC(=O)/C=C/C=C/Cc1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,19)13-17-15(18)12-8-4-7-11-14-9-5-3-6-10-14/h3-10,12,19H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+
InChIKeyVQRMWYSVDQFYBE-HCFISPQYSA-N
MW259.35 g/mol
LogP2.23
Rot. Bonds6

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

(2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide (PubChem CID 6449397) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide.

Molecular Properties

Compound Name(2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
PubChem CID6449397
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide
SMILESCC(C)(O)CNC(=O)/C=C/C=C/Cc1ccccc1
InChIInChI=1S/C16H21NO2/c1-16(2,19)13-17-15(18)12-8-4-7-11-14-9-5-3-6-10-14/h3-10,12,19H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+
InChIKeyVQRMWYSVDQFYBE-HCFISPQYSA-N
XLogP2.23
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.23
H-Bond Donors ≤ 52
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

Idrocilamide
CID 1550874
Brn 2646116
CID 5281870
N-Phenethyl-3-phenyl-acrylamide
CID 795855
Cinnamoylglycine
CID 709625
3-Hydroxy-5-(2-Phenylethyl)pyridin-2(1h)-One
CID 71187181
Cinnamamide, N-(2-hydroxypropyl)-
CID 6434084
Cinnamamide, N-(2-hydroxy-1-methylethyl)-
CID 6434086
Cinnamamide, 4-fluoro-N-(2-hydroxyethyl)-
CID 6434365
Cinnamamide, N-allyl-, (E)-
CID 5371820
Cinnamamide, N-allyl-alpha-methyl-
CID 6435635
3-methyl-N-(2-phenylethyl)-2-butenamide
CID 731815
N,N'-1,3-propanediylbis(3-phenylacrylamide)
CID 2172194

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The IUPAC name of (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide (CID 6449397) is (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide.
What is the SMILES notation for (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The canonical SMILES for (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide is CC(C)(O)CNC(=O)/C=C/C=C/Cc1ccccc1.
What is the InChIKey of (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
The InChIKey is VQRMWYSVDQFYBE-HCFISPQYSA-N. The full InChI is InChI=1S/C16H21NO2/c1-16(2,19)13-17-15(18)12-8-4-7-11-14-9-5-3-6-10-14/h3-10,12,19H,11,13H2,1-2H3,(H,17,18)/b7-4+,12-8+.
What are the key properties of (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide?
(2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide has a molecular weight of 259.35 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-N-(2-hydroxy-2-methylpropyl)-6-phenylhexa-2,4-dienamide is sourced from PubChem (CID 6449397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).