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

C18H22N2O — CID 167190467

IUPAC2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESC=C(/C=C\C)NC(=O)c1ccc(C2=CCNCC2)cc1C
InChIInChI=1S/C18H22N2O/c1-4-5-14(3)20-18(21)17-7-6-16(12-13(17)2)15-8-10-19-11-9-15/h4-8,12,19H,3,9-11H2,1-2H3,(H,20,21)/b5-4-
InChIKeyICIXYPPCXKKMIB-PLNGDYQASA-N
MW282.39 g/mol
LogP3.19
Rot. Bonds4

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

2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (PubChem CID 167190467) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.

Molecular Properties

Compound Name2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
PubChem CID167190467
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide
SMILESC=C(/C=C\C)NC(=O)c1ccc(C2=CCNCC2)cc1C
InChIInChI=1S/C18H22N2O/c1-4-5-14(3)20-18(21)17-7-6-16(12-13(17)2)15-8-10-19-11-9-15/h4-8,12,19H,3,9-11H2,1-2H3,(H,20,21)/b5-4-
InChIKeyICIXYPPCXKKMIB-PLNGDYQASA-N
XLogP3.19
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.19
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 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The IUPAC name of 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide (CID 167190467) is 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide.
What is the SMILES notation for 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The canonical SMILES for 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is C=C(/C=C\C)NC(=O)c1ccc(C2=CCNCC2)cc1C.
What is the InChIKey of 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
The InChIKey is ICIXYPPCXKKMIB-PLNGDYQASA-N. The full InChI is InChI=1S/C18H22N2O/c1-4-5-14(3)20-18(21)17-7-6-16(12-13(17)2)15-8-10-19-11-9-15/h4-8,12,19H,3,9-11H2,1-2H3,(H,20,21)/b5-4-.
What are the key properties of 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide?
2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide has a molecular weight of 282.39 g/mol, XLogP of 3.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3Z)-penta-1,3-dien-2-yl]-4-(1,2,3,6-tetrahydropyridin-4-yl)benzamide is sourced from PubChem (CID 167190467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).