N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide

C21H15N3O3 — CID 9156024

IUPACN-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C2\C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C21H15N3O3/c1-12-8-10-14(11-9-12)22-20(26)21(27)24-23-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)25/h2-11H,1H3,(H,22,26)(H,24,27)/b23-18-
InChIKeyDKWKFYWEFSMSMO-NKFKGCMQSA-N
MW357.37 g/mol
LogP2.80
Rot. Bonds2

About N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide

N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide (PubChem CID 9156024) has the molecular formula C21H15N3O3 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
PubChem CID9156024
Molecular FormulaC21H15N3O3
Molecular Weight357.37 g/mol
Exact Mass357.11
IUPAC NameN-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C2\C(=O)c3cccc4cccc2c34)cc1
InChIInChI=1S/C21H15N3O3/c1-12-8-10-14(11-9-12)22-20(26)21(27)24-23-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)25/h2-11H,1H3,(H,22,26)(H,24,27)/b23-18-
InChIKeyDKWKFYWEFSMSMO-NKFKGCMQSA-N
XLogP2.80
TPSA87.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'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'-(fluoren-9-ylideneamino)-N-(4-methylphenyl)oxamide
CID 9155525
3-hydroxy-N-[(2-oxoacenaphthylen-1-ylidene)amino]benzamide
CID 2552582
(2E)-2-(phenylhydrazinylidene)acenaphthylen-1-one
CID 6509374
N'-(cyclooctylideneamino)-N-(4-methylphenyl)oxamide
CID 71902500
2-(4-methoxyphenoxy)-N-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]acetamide
CID 6156122
N'-[(Z)-(8-fluoro-2,3-dihydrothiochromen-4-ylidene)amino]-N-(4-methylphenyl)oxamide
CID 75365072
N'-[(Z)-3,4-dihydro-1H-naphthalen-2-ylideneamino]-N-(4-methylphenyl)oxamide
CID 9410894
N'-[(E)-1-(1-hydroxynaphthalen-2-yl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 135574728
N-(4-methoxyphenyl)-N'-[1-(4-methylphenyl)ethylideneamino]oxamide
CID 3377445
N'-[(Z)-1-(2-bromophenyl)ethylideneamino]-N-(4-methylphenyl)oxamide
CID 9155868
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-(heptan-4-ylideneamino)-N-(4-methylphenyl)oxamide
CID 3102509

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide (CID 9156024) is N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C2\C(=O)c3cccc4cccc2c34)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide?
The InChIKey is DKWKFYWEFSMSMO-NKFKGCMQSA-N. The full InChI is InChI=1S/C21H15N3O3/c1-12-8-10-14(11-9-12)22-20(26)21(27)24-23-18-15-6-2-4-13-5-3-7-16(17(13)15)19(18)25/h2-11H,1H3,(H,22,26)(H,24,27)/b23-18-.
What are the key properties of N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide?
N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide has a molecular weight of 357.37 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(Z)-(2-oxoacenaphthylen-1-ylidene)amino]oxamide is sourced from PubChem (CID 9156024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).