N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide

C22H19N3O2 — CID 45054176

IUPACN'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-16(14-17-8-3-2-4-9-17)15-23-25-22(27)21(26)24-20-13-7-11-18-10-5-6-12-19(18)20/h2-15H,1H3,(H,24,26)(H,25,27)/b16-14-,23-15+
InChIKeyHTPUEJHJXYMTDX-CPXQZVORSA-N
MW357.41 g/mol
LogP3.98
Rot. Bonds4

About N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide

N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide (PubChem CID 45054176) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide.

Molecular Properties

Compound NameN'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
PubChem CID45054176
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide
SMILESCC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc2ccccc12
InChIInChI=1S/C22H19N3O2/c1-16(14-17-8-3-2-4-9-17)15-23-25-22(27)21(26)24-20-13-7-11-18-10-5-6-12-19(18)20/h2-15H,1H3,(H,24,26)(H,25,27)/b16-14-,23-15+
InChIKeyHTPUEJHJXYMTDX-CPXQZVORSA-N
XLogP3.98
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2-methyl-3-phenylprop-2-enylidene)amino]-N-naphthalen-1-yloxamide
CID 3350985
N-(3-methylphenyl)-N'-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 99907772
N,N'-bis[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]hexanediamide
CID 6369714
N'-[(2-methyl-3-phenylprop-2-enylidene)amino]oxamide
CID 4123123
N-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]acetamide
CID 6048763
N-(3,4-dichlorophenyl)-N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 45054187
N'-[(3-chlorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 75087504
N'-[(E)-(3-fluorophenyl)methylideneamino]-N-naphthalen-1-yloxamide
CID 45055016
N-cyclopropyl-N'-[(Z)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]oxamide
CID 9352240
N-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]octadecanamide
CID 45054186
N-naphthalen-1-yl-N'-[(Z)-thiophen-2-ylmethylideneamino]oxamide
CID 5373375
2,2-dimethyl-N-[(E)-3-(naphthalen-1-ylamino)-3-oxo-1-phenylprop-1-en-2-yl]propanamide
CID 18859812

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide?
The IUPAC name of N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide (CID 45054176) is N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide.
What is the SMILES notation for N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide?
The canonical SMILES for N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide is CC(=C/c1ccccc1)/C=N/NC(=O)C(=O)Nc1cccc2ccccc12.
What is the InChIKey of N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide?
The InChIKey is HTPUEJHJXYMTDX-CPXQZVORSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-16(14-17-8-3-2-4-9-17)15-23-25-22(27)21(26)24-20-13-7-11-18-10-5-6-12-19(18)20/h2-15H,1H3,(H,24,26)(H,25,27)/b16-14-,23-15+.
What are the key properties of N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide?
N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide has a molecular weight of 357.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-N-naphthalen-1-yloxamide is sourced from PubChem (CID 45054176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).