ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide

C19H33NO2 — CID 145162824

IUPACethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
SMILESC/C=C(O)\C(=C/C)NC(=O)c1ccccc1.CC.CC.CC
InChIInChI=1S/C13H15NO2.3C2H6/c1-3-11(12(15)4-2)14-13(16)10-8-6-5-7-9-10;3*1-2/h3-9,15H,1-2H3,(H,14,16);3*1-2H3/b11-3+,12-4+;;;
InChIKeyRWYBJOMVHVHWSK-FZNPSRLOSA-N
MW307.48 g/mol
LogP5.86
Rot. Bonds3

About ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide

ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide (PubChem CID 145162824) has the molecular formula C19H33NO2 and a molecular weight of 307.48 g/mol. Its IUPAC name is ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide.

Molecular Properties

Compound Nameethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
PubChem CID145162824
Molecular FormulaC19H33NO2
Molecular Weight307.48 g/mol
Exact Mass307.25
IUPAC Nameethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide
SMILESC/C=C(O)\C(=C/C)NC(=O)c1ccccc1.CC.CC.CC
InChIInChI=1S/C13H15NO2.3C2H6/c1-3-11(12(15)4-2)14-13(16)10-8-6-5-7-9-10;3*1-2/h3-9,15H,1-2H3,(H,14,16);3*1-2H3/b11-3+,12-4+;;;
InChIKeyRWYBJOMVHVHWSK-FZNPSRLOSA-N
XLogP5.86
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-benzamidobut-2-enoic acid
CID 15472529
N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]-3,4-dimethylbenzamide
CID 145169838
(Z)-2-benzamido-3-chloroprop-2-enoic acid
CID 10977157
N-methylbenzamide
CID 11954
N-penta-1,3-dien-3-ylbenzamide
CID 76693459
N-[(Z)-1-(dimethylamino)-3-oxobut-1-en-2-yl]benzamide
CID 12030798
methyl (E)-2-benzamido-3-(N-phenylanilino)prop-2-enoate
CID 66987424
2-benzamidopenta-2,4-dienoic acid
CID 87146493
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
ethane;N-methylbenzamide;2-methylpropane
CID 161462553
methyl 2-benzamido-4-methylpent-2-enoate
CID 71400450
ethene;N-[(2E,4Z)-hexa-2,4-dien-3-yl]benzamide
CID 142217510

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide?
The IUPAC name of ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide (CID 145162824) is ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide.
What is the SMILES notation for ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide?
The canonical SMILES for ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide is C/C=C(O)\C(=C/C)NC(=O)c1ccccc1.CC.CC.CC.
What is the InChIKey of ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide?
The InChIKey is RWYBJOMVHVHWSK-FZNPSRLOSA-N. The full InChI is InChI=1S/C13H15NO2.3C2H6/c1-3-11(12(15)4-2)14-13(16)10-8-6-5-7-9-10;3*1-2/h3-9,15H,1-2H3,(H,14,16);3*1-2H3/b11-3+,12-4+;;;.
What are the key properties of ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide?
ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide has a molecular weight of 307.48 g/mol, XLogP of 5.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E,4E)-4-hydroxyhexa-2,4-dien-3-yl]benzamide is sourced from PubChem (CID 145162824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).