4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide

C21H24N2O — CID 144959062

IUPAC4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide
SMILESC/C=C(CCNC(=O)c1ccc(C)cc1)\N=C(/C)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-4-20(23-17(3)18-8-6-5-7-9-18)14-15-22-21(24)19-12-10-16(2)11-13-19/h4-13H,14-15H2,1-3H3,(H,22,24)/b20-4-,23-17+
InChIKeyMZVWTZRHIGXGEY-YEZKOGHVSA-N
MW320.44 g/mol
LogP4.53
Rot. Bonds6

About 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide

4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide (PubChem CID 144959062) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide
PubChem CID144959062
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide
SMILESC/C=C(CCNC(=O)c1ccc(C)cc1)\N=C(/C)c1ccccc1
InChIInChI=1S/C21H24N2O/c1-4-20(23-17(3)18-8-6-5-7-9-18)14-15-22-21(24)19-12-10-16(2)11-13-19/h4-13H,14-15H2,1-3H3,(H,22,24)/b20-4-,23-17+
InChIKeyMZVWTZRHIGXGEY-YEZKOGHVSA-N
XLogP4.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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but-2-ene;4-methyl-N-(2-sulfanylethyl)benzamide
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CID 10798281
N-(3-acetamidopropyl)-4-phenylbenzamide
CID 38450168
7-[(4-methylbenzoyl)amino]heptanoic acid
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CID 59535801

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide?
The IUPAC name of 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide (CID 144959062) is 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide?
The canonical SMILES for 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide is C/C=C(CCNC(=O)c1ccc(C)cc1)\N=C(/C)c1ccccc1.
What is the InChIKey of 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide?
The InChIKey is MZVWTZRHIGXGEY-YEZKOGHVSA-N. The full InChI is InChI=1S/C21H24N2O/c1-4-20(23-17(3)18-8-6-5-7-9-18)14-15-22-21(24)19-12-10-16(2)11-13-19/h4-13H,14-15H2,1-3H3,(H,22,24)/b20-4-,23-17+.
What are the key properties of 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide?
4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide has a molecular weight of 320.44 g/mol, XLogP of 4.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(Z)-3-(1-phenylethylideneamino)pent-3-enyl]benzamide is sourced from PubChem (CID 144959062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).