4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide

C19H27NO4 — CID 69130580

IUPAC4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide
SMILESCC(C)=CCC/C(C)=C/COc1ccc(C(=O)NCCO)c(O)c1
InChIInChI=1S/C19H27NO4/c1-14(2)5-4-6-15(3)9-12-24-16-7-8-17(18(22)13-16)19(23)20-10-11-21/h5,7-9,13,21-22H,4,6,10-12H2,1-3H3,(H,20,23)/b15-9+
InChIKeyOILFBNDTFMJJMQ-OQLLNIDSSA-N
MW333.43 g/mol
LogP3.19
Rot. Bonds9

About 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide

4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide (PubChem CID 69130580) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide
PubChem CID69130580
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide
SMILESCC(C)=CCC/C(C)=C/COc1ccc(C(=O)NCCO)c(O)c1
InChIInChI=1S/C19H27NO4/c1-14(2)5-4-6-15(3)9-12-24-16-7-8-17(18(22)13-16)19(23)20-10-11-21/h5,7-9,13,21-22H,4,6,10-12H2,1-3H3,(H,20,23)/b15-9+
InChIKeyOILFBNDTFMJJMQ-OQLLNIDSSA-N
XLogP3.19
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3,7-dimethylocta-2,6-dienoxy)-2-hydroxybenzoic acid
CID 54278748
1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2,6-dihydroxyphenyl]ethanone
CID 10859675
4-(3,7-dimethylocta-2,6-dienoxy)benzoic acid
CID 54274018
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-N-(2-pyridin-2-ylethyl)benzamide
CID 15434237
1-[2-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4,6-dihydroxyphenyl]-2-hydroxyethanone
CID 24761036
6-(3,7-dimethylocta-2,6-dienoxy)-1-benzofuran-2-carboxylic acid
CID 54108801
7-[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one;7-(3-methylbut-2-enoxy)chromen-2-one
CID 145196276
2-hydroxy-N-(3-hydroxypropyl)-4-methoxybenzamide
CID 43390117
(E)-1-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]phenyl]-3-[2-hydroxy-4-(methoxymethoxy)phenyl]prop-2-en-1-one
CID 100960826
1-(3,7-dimethylocta-2,6-dienoxy)-4-ethylbenzene
CID 54241821
dimethyl 3,5-bis(3,7,11-trimethyldodeca-2,6,10-trienoxy)benzene-1,2-dicarboxylate
CID 139784072
3,4,7-tris[(2E)-3,7-dimethylocta-2,6-dienoxy]chromen-2-one
CID 22854151

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide?
The IUPAC name of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide (CID 69130580) is 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide is CC(C)=CCC/C(C)=C/COc1ccc(C(=O)NCCO)c(O)c1.
What is the InChIKey of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide?
The InChIKey is OILFBNDTFMJJMQ-OQLLNIDSSA-N. The full InChI is InChI=1S/C19H27NO4/c1-14(2)5-4-6-15(3)9-12-24-16-7-8-17(18(22)13-16)19(23)20-10-11-21/h5,7-9,13,21-22H,4,6,10-12H2,1-3H3,(H,20,23)/b15-9+.
What are the key properties of 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide?
4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide has a molecular weight of 333.43 g/mol, XLogP of 3.19, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-hydroxy-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 69130580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).