N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide

C20H20N4O2 — CID 135785166

IUPACN'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCCc1cccc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c[nH]c12
InChIInChI=1S/C20H20N4O2/c1-3-14-5-4-6-17-15(11-21-18(14)17)12-22-24-20(26)19(25)23-16-9-7-13(2)8-10-16/h4-12,21H,3H2,1-2H3,(H,23,25)(H,24,26)/b22-12+
InChIKeyKTMVNUGHSMAKPP-WSDLNYQXSA-N
MW348.41 g/mol
LogP3.13
Rot. Bonds4

About N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide

N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide (PubChem CID 135785166) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide.

Molecular Properties

Compound NameN'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
PubChem CID135785166
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
SMILESCCc1cccc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c[nH]c12
InChIInChI=1S/C20H20N4O2/c1-3-14-5-4-6-17-15(11-21-18(14)17)12-22-24-20(26)19(25)23-16-9-7-13(2)8-10-16/h4-12,21H,3H2,1-2H3,(H,23,25)(H,24,26)/b22-12+
InChIKeyKTMVNUGHSMAKPP-WSDLNYQXSA-N
XLogP3.13
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.13
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-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]thiophene-2-carboxamide
CID 135557951
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 2710539
4-bromo-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-1H-pyrrole-2-carboxamide
CID 135846604
4-ethoxy-N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]benzamide
CID 135702030
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-[(7-ethyl-1H-indol-3-yl)methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 3987946
(2R)-2-cyano-N-[(Z)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-phenylacetamide
CID 137021976
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-3,4-dimethoxybenzamide
CID 135679847
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-(2-methoxyphenoxy)acetamide
CID 135702130
(E)-1-(7-ethyl-1H-indol-3-yl)-N-[(4-methylphenyl)methoxy]methanimine
CID 135538416
N-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-2-[3-(trifluoromethyl)anilino]acetamide
CID 135715866

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide?
The IUPAC name of N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide (CID 135785166) is N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide.
What is the SMILES notation for N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide?
The canonical SMILES for N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide is CCc1cccc2c(/C=N/NC(=O)C(=O)Nc3ccc(C)cc3)c[nH]c12.
What is the InChIKey of N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide?
The InChIKey is KTMVNUGHSMAKPP-WSDLNYQXSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-3-14-5-4-6-17-15(11-21-18(14)17)12-22-24-20(26)19(25)23-16-9-7-13(2)8-10-16/h4-12,21H,3H2,1-2H3,(H,23,25)(H,24,26)/b22-12+.
What are the key properties of N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide?
N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide has a molecular weight of 348.41 g/mol, XLogP of 3.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(7-ethyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide is sourced from PubChem (CID 135785166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).