N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide

C15H18N4O2 — CID 135814046

IUPACN'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O2/c1-10(2)7-17-14(20)15(21)19-18-9-11-8-16-13-6-4-3-5-12(11)13/h3-6,8-10,16H,7H2,1-2H3,(H,17,20)(H,19,21)/b18-9+
InChIKeyQEFAXYAJPICMBL-GIJQJNRQSA-N
MW286.34 g/mol
LogP1.39
Rot. Bonds4

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

N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide (PubChem CID 135814046) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
PubChem CID135814046
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide
SMILESCC(C)CNC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C15H18N4O2/c1-10(2)7-17-14(20)15(21)19-18-9-11-8-16-13-6-4-3-5-12(11)13/h3-6,8-10,16H,7H2,1-2H3,(H,17,20)(H,19,21)/b18-9+
InChIKeyQEFAXYAJPICMBL-GIJQJNRQSA-N
XLogP1.39
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.39
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-[(1R)-1-phenylethyl]oxamide
CID 135814059
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-(2-methylpropyl)-N'-[(E)-naphthalen-1-ylmethylideneamino]oxamide
CID 46741717
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
CID 135814036
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-(2,6-dimethylphenyl)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135606051
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N'-[(E)-(2-methoxyphenyl)methylideneamino]-N-(2-methylpropyl)oxamide
CID 46741715

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide?
The IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide (CID 135814046) is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide.
What is the SMILES notation for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide?
The canonical SMILES for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide is CC(C)CNC(=O)C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide?
The InChIKey is QEFAXYAJPICMBL-GIJQJNRQSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-10(2)7-17-14(20)15(21)19-18-9-11-8-16-13-6-4-3-5-12(11)13/h3-6,8-10,16H,7H2,1-2H3,(H,17,20)(H,19,21)/b18-9+.
What are the key properties of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide?
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide has a molecular weight of 286.34 g/mol, XLogP of 1.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-methylpropyl)oxamide is sourced from PubChem (CID 135814046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).