N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

C19H24N2O — CID 167189908

IUPACN-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESC=C(/C=C\CC)NC(=O)c1ccc(C2=CCNCC2)cc1C
InChIInChI=1S/C19H24N2O/c1-4-5-6-15(3)21-19(22)18-8-7-17(13-14(18)2)16-9-11-20-12-10-16/h5-9,13,20H,3-4,10-12H2,1-2H3,(H,21,22)/b6-5-
InChIKeyNLETXMACKZCIMO-WAYWQWQTSA-N
MW296.41 g/mol
LogP3.58
Rot. Bonds5

About N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide

N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 167189908) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound NameN-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID167189908
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC NameN-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESC=C(/C=C\CC)NC(=O)c1ccc(C2=CCNCC2)cc1C
InChIInChI=1S/C19H24N2O/c1-4-5-6-15(3)21-19(22)18-8-7-17(13-14(18)2)16-9-11-20-12-10-16/h5-9,13,20H,3-4,10-12H2,1-2H3,(H,21,22)/b6-5-
InChIKeyNLETXMACKZCIMO-WAYWQWQTSA-N
XLogP3.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 167190467
N-[4-(diaminomethylideneamino)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118090
N-[3-fluoro-4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 175769556
2-methoxy-4-(1,2,3,6-tetrahydropyridin-4-yl)-N-[5-(1,2,3,6-tetrahydropyridin-4-yl)-2-pyridinyl]benzamide
CID 165118223
2-ethyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzonitrile
CID 67006366
1-(3-ethoxyphenyl)-3-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenyl]urea
CID 69451896
2-(4-methylpiperidin-1-yl)-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide;dihydrochloride
CID 68683324
N-ethyl-N-methyl-2-[4-(1,2,3,6-tetrahydropyridin-4-yl)phenoxy]acetamide
CID 43309518
N-[4-(aminomethyl)phenyl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
CID 165118625
2-bromo-4-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487324
2,5-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107487494
4-[8-(1,2,3,6-tetrahydropyridin-4-yl)dibenzothiophen-2-yl]-1,2,3,6-tetrahydropyridine
CID 59268455

Frequently Asked Questions

What is the IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 167189908) is N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is C=C(/C=C\CC)NC(=O)c1ccc(C2=CCNCC2)cc1C.
What is the InChIKey of N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is NLETXMACKZCIMO-WAYWQWQTSA-N. The full InChI is InChI=1S/C19H24N2O/c1-4-5-6-15(3)21-19(22)18-8-7-17(13-14(18)2)16-9-11-20-12-10-16/h5-9,13,20H,3-4,10-12H2,1-2H3,(H,21,22)/b6-5-.
What are the key properties of N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 296.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3Z)-hexa-1,3-dien-2-yl]-2-methyl-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 167189908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).