N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide

C19H18N4O2 — CID 135606051

IUPACN-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c1-12-6-5-7-13(2)17(12)22-18(24)19(25)23-21-11-14-10-20-16-9-4-3-8-15(14)16/h3-11,20H,1-2H3,(H,22,24)(H,23,25)/b21-11+
InChIKeyKHVWYFSESZTYFI-SRZZPIQSSA-N
MW334.38 g/mol
LogP2.87
Rot. Bonds3

About N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide

N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide (PubChem CID 135606051) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
PubChem CID135606051
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
SMILESCc1cccc(C)c1NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c1-12-6-5-7-13(2)17(12)22-18(24)19(25)23-21-11-14-10-20-16-9-4-3-8-15(14)16/h3-11,20H,1-2H3,(H,22,24)(H,23,25)/b21-11+
InChIKeyKHVWYFSESZTYFI-SRZZPIQSSA-N
XLogP2.87
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.87
H-Bond Donors ≤ 53
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-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-(3-chloro-4-methylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135684495
(2S)-2-(2,6-dimethylanilino)-N-[(E)-1H-indol-3-ylmethylideneamino]propanamide
CID 135827906
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
CID 135814046
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)oxamide
CID 136697606
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-[(1R)-1-phenylethyl]oxamide
CID 135814059
N-[(E)-1H-indol-3-ylmethylideneamino]-3-methylbenzamide
CID 135604376
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide (CID 135606051) is N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide is Cc1cccc(C)c1NC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
The InChIKey is KHVWYFSESZTYFI-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-12-6-5-7-13(2)17(12)22-18(24)19(25)23-21-11-14-10-20-16-9-4-3-8-15(14)16/h3-11,20H,1-2H3,(H,22,24)(H,23,25)/b21-11+.
What are the key properties of N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide?
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide has a molecular weight of 334.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide is sourced from PubChem (CID 135606051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).