(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide

C16H21NO2 — CID 44560415

IUPAC(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide
SMILESC/C(=C/C=C/c1ccccc1)C(O)C(C)(C)C(N)=O
InChIInChI=1S/C16H21NO2/c1-12(14(18)16(2,3)15(17)19)8-7-11-13-9-5-4-6-10-13/h4-11,14,18H,1-3H3,(H2,17,19)/b11-7+,12-8-
InChIKeyYSFDTLGVPLFRNN-RLCSYUECSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds5

About (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide

(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide (PubChem CID 44560415) has the molecular formula C16H21NO2 and a molecular weight of 259.35 g/mol. Its IUPAC name is (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide.

Molecular Properties

Compound Name(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide
PubChem CID44560415
Molecular FormulaC16H21NO2
Molecular Weight259.35 g/mol
Exact Mass259.16
IUPAC Name(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide
SMILESC/C(=C/C=C/c1ccccc1)C(O)C(C)(C)C(N)=O
InChIInChI=1S/C16H21NO2/c1-12(14(18)16(2,3)15(17)19)8-7-11-13-9-5-4-6-10-13/h4-11,14,18H,1-3H3,(H2,17,19)/b11-7+,12-8-
InChIKeyYSFDTLGVPLFRNN-RLCSYUECSA-N
XLogP2.52
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide?
The IUPAC name of (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide (CID 44560415) is (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide.
What is the SMILES notation for (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide?
The canonical SMILES for (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide is C/C(=C/C=C/c1ccccc1)C(O)C(C)(C)C(N)=O.
What is the InChIKey of (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide?
The InChIKey is YSFDTLGVPLFRNN-RLCSYUECSA-N. The full InChI is InChI=1S/C16H21NO2/c1-12(14(18)16(2,3)15(17)19)8-7-11-13-9-5-4-6-10-13/h4-11,14,18H,1-3H3,(H2,17,19)/b11-7+,12-8-.
What are the key properties of (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide?
(4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide has a molecular weight of 259.35 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6E)-3-hydroxy-2,2,4-trimethyl-7-phenylhepta-4,6-dienamide is sourced from PubChem (CID 44560415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).