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

C19H18N4O2 — CID 135814036

IUPACN'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c24-18(20-11-10-14-6-2-1-3-7-14)19(25)23-22-13-15-12-21-17-9-5-4-8-16(15)17/h1-9,12-13,21H,10-11H2,(H,20,24)(H,23,25)/b22-13+
InChIKeyATNWWFDCKJVECE-LPYMAVHISA-N
MW334.38 g/mol
LogP1.98
Rot. Bonds5

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

N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide (PubChem CID 135814036) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
PubChem CID135814036
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC NameN'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide
SMILESO=C(NCCc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12
InChIInChI=1S/C19H18N4O2/c24-18(20-11-10-14-6-2-1-3-7-14)19(25)23-22-13-15-12-21-17-9-5-4-8-16(15)17/h1-9,12-13,21H,10-11H2,(H,20,24)(H,23,25)/b22-13+
InChIKeyATNWWFDCKJVECE-LPYMAVHISA-N
XLogP1.98
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.98
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-(2-methylpropyl)oxamide
CID 135814046
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-methyloxamide
CID 135814043
N-benzyl-N'-(1H-indol-3-ylmethylideneamino)butanediamide
CID 3422533
1-benzyl-3-[(Z)-1H-indol-3-ylmethylideneamino]thiourea
CID 136661043
2-cyano-3-(1H-indol-3-yl)-N-(2-phenylethyl)prop-2-enamide
CID 842168
N-[(Z)-1-(1H-indol-3-yl)-3-oxo-3-(2-phenylethylamino)prop-1-en-2-yl]benzamide
CID 19059519
N'-[(2-fluorophenyl)methylideneamino]-N-(2-phenylethyl)oxamide
CID 2248791
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'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide?
The IUPAC name of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide (CID 135814036) is N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide.
What is the SMILES notation for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide?
The canonical SMILES for N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide is O=C(NCCc1ccccc1)C(=O)N/N=C/c1c[nH]c2ccccc12.
What is the InChIKey of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide?
The InChIKey is ATNWWFDCKJVECE-LPYMAVHISA-N. The full InChI is InChI=1S/C19H18N4O2/c24-18(20-11-10-14-6-2-1-3-7-14)19(25)23-22-13-15-12-21-17-9-5-4-8-16(15)17/h1-9,12-13,21H,10-11H2,(H,20,24)(H,23,25)/b22-13+.
What are the key properties of N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide?
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-(2-phenylethyl)oxamide has a molecular weight of 334.38 g/mol, XLogP of 1.98, 5 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-phenylethyl)oxamide is sourced from PubChem (CID 135814036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).