2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide

C21H20N2O — CID 6859027

IUPAC2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(C)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O/c1-15-10-12-17(13-11-15)14-21(24)23-22-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-13H,14H2,1-2H3,(H,23,24)/b22-16-
InChIKeyNJYPDUHEXPWVMM-JWGURIENSA-N
MW316.40 g/mol
LogP4.23
Rot. Bonds4

About 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide

2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide (PubChem CID 6859027) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
PubChem CID6859027
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide
SMILESC/C(=N/NC(=O)Cc1ccc(C)cc1)c1cccc2ccccc12
InChIInChI=1S/C21H20N2O/c1-15-10-12-17(13-11-15)14-21(24)23-22-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-13H,14H2,1-2H3,(H,23,24)/b22-16-
InChIKeyNJYPDUHEXPWVMM-JWGURIENSA-N
XLogP4.23
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(naphthalen-1-ylmethyl)phthalazin-1(2H)-one
CID 13190952
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-4a-methyl-
CID 369353
Benzo(h)cinnolin-8-carbonitrile, 2,3,4,4a,5,6-hexahydro-3-oxo-, (+-)-
CID 3078592
Benzo(h)cinnolin-3(2H)-one, 4,4a,5,6-tetrahydro-, (+-)-
CID 3078594
3-(Phenanthren-3-yl)propanehydrazide
CID 219939
N'-[(1Z)-3,4-dihydronaphthalen-1(2H)-ylidene]-2,2-diphenylacetohydrazide
CID 5432170
N'-(3,4-dihydro-1(2H)-naphthalenylidene)-2-(1-naphthyl)acetohydrazide
CID 6003090
trans-(1R,2R)-N-[(E)-1-(4-methylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 9565072
2,4-dimethyl-N-(tetralin-1-ylideneamino)benzamide
CID 9612421
trans-(1R,2R)-2-phenyl-N-[(E)-1-(4-phenylphenyl)ethylideneamino]cyclopropane-1-carboxamide
CID 9694798
trans-(1R,2R)-N-[(E)-1-(2,3-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73346356
trans-(1R,2R)-N-[(E)-1-(2,4-dimethylphenyl)ethylideneamino]-2-phenylcyclopropane-1-carboxamide
CID 73349389

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide?
The IUPAC name of 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide (CID 6859027) is 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide?
The canonical SMILES for 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide is C/C(=N/NC(=O)Cc1ccc(C)cc1)c1cccc2ccccc12.
What is the InChIKey of 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide?
The InChIKey is NJYPDUHEXPWVMM-JWGURIENSA-N. The full InChI is InChI=1S/C21H20N2O/c1-15-10-12-17(13-11-15)14-21(24)23-22-16(2)19-9-5-7-18-6-3-4-8-20(18)19/h3-13H,14H2,1-2H3,(H,23,24)/b22-16-.
What are the key properties of 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide?
2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide has a molecular weight of 316.40 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-N-[(Z)-1-naphthalen-1-ylethylideneamino]acetamide is sourced from PubChem (CID 6859027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).