2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide

C16H18N2O3 — CID 6444347

IUPAC2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide
SMILES[H]/N=N/C(=O)c1c(/C=C/C=C/C=C)cccc1C(CO)CO
InChIInChI=1S/C16H18N2O3/c1-2-3-4-5-7-12-8-6-9-14(13(10-19)11-20)15(12)16(21)18-17/h2-9,13,17,19-20H,1,10-11H2/b4-3+,7-5+,18-17+
InChIKeyHYIIDAABDYGOAY-ZPKCZPTJSA-N
MW286.33 g/mol
LogP2.68
Rot. Bonds7

About 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide

2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide (PubChem CID 6444347) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide.

Molecular Properties

Compound Name2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide
PubChem CID6444347
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide
SMILES[H]/N=N/C(=O)c1c(/C=C/C=C/C=C)cccc1C(CO)CO
InChIInChI=1S/C16H18N2O3/c1-2-3-4-5-7-12-8-6-9-14(13(10-19)11-20)15(12)16(21)18-17/h2-9,13,17,19-20H,1,10-11H2/b4-3+,7-5+,18-17+
InChIKeyHYIIDAABDYGOAY-ZPKCZPTJSA-N
XLogP2.68
TPSA93.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2,3-Dihydroxypropyl]isophthalamide
CID 22289979
(2-Hydroxyethyl)-terephthalamide
CID 129845691
2-(2-Hydroxyethyl)-6-(trifluoromethyl)benzamide
CID 22713600
2-Fluoro-6-(2-hydroxyethyl)benzamide
CID 22713690
2,4-Bis(2-fluoro-2-hydroxyethyl)benzamide
CID 57042244
2-(5-Hydroxypentyl)-6-(trifluoromethyl)benzamide
CID 70888105
2-[(2S)-1-hydroxypropan-2-yl]-5-(trifluoromethyl)benzamide
CID 140562444
2-[(1S)-1-[3-fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 140673379
4-Fluoro-2-(2-hydroxyethyl)benzamide
CID 140850371
3-Fluoro-2-(2-hydroxyethyl)benzamide
CID 141317768
2-[1-[3-Fluoro-5-(fluoromethyl)phenyl]-2-hydroxyethyl]benzamide
CID 141444407
3-(2-Fluoro-2-hydroxyethyl)-2-methylbenzamide
CID 153551678

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide?
The IUPAC name of 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide (CID 6444347) is 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide.
What is the SMILES notation for 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide?
The canonical SMILES for 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide is [H]/N=N/C(=O)c1c(/C=C/C=C/C=C)cccc1C(CO)CO.
What is the InChIKey of 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide?
The InChIKey is HYIIDAABDYGOAY-ZPKCZPTJSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-2-3-4-5-7-12-8-6-9-14(13(10-19)11-20)15(12)16(21)18-17/h2-9,13,17,19-20H,1,10-11H2/b4-3+,7-5+,18-17+.
What are the key properties of 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide?
2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide has a molecular weight of 286.33 g/mol, XLogP of 2.68, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dihydroxypropan-2-yl)-6-[(1E,3E)-hexa-1,3,5-trienyl]-N-iminobenzamide is sourced from PubChem (CID 6444347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).