N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide

C24H20N4O2 — CID 135785163

IUPACN-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20N4O2/c1-16-11-13-18(14-12-16)26-23(29)24(30)28-25-15-20-19-9-5-6-10-21(19)27-22(20)17-7-3-2-4-8-17/h2-15,27H,1H3,(H,26,29)(H,28,30)/b25-15+
InChIKeyBOMATSMGQGIFDJ-MFKUBSTISA-N
MW396.45 g/mol
LogP4.23
Rot. Bonds4

About N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide

N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide (PubChem CID 135785163) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
PubChem CID135785163
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC NameN-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide
SMILESCc1ccc(NC(=O)C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1
InChIInChI=1S/C24H20N4O2/c1-16-11-13-18(14-12-16)26-23(29)24(30)28-25-15-20-19-9-5-6-10-21(19)27-22(20)17-7-3-2-4-8-17/h2-15,27H,1H3,(H,26,29)(H,28,30)/b25-15+
InChIKeyBOMATSMGQGIFDJ-MFKUBSTISA-N
XLogP4.23
TPSA86.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.23
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)-(2-methyl-1H-indol-3-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 135574727
N-phenyl-N'-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 6288830
N-phenyl-N'-[(2,4,6-trimethylphenyl)methylideneamino]oxamide
CID 5164860
N'-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 136739213
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238
N'-(1H-indol-3-ylmethylideneamino)-N-phenyloxamide
CID 136679012
N-(4-methylphenyl)-N'-[(Z)-(2,3,4,5,6-pentafluorophenyl)methylideneamino]oxamide
CID 9155826
2-(5-methyl-2-propan-2-ylphenoxy)-N-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135620342
1-[(E)-[2-(4-bromophenyl)-1H-indol-3-yl]methylideneamino]-3-[4-(dimethylamino)phenyl]thiourea
CID 137333629
N'-[(Z)-(2-ethoxynaphthalen-1-yl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8932141
2-(3,5-dimethylpyrazol-1-yl)-N-[(2-phenyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4854849
N-[(E)-(7-methoxy-2-phenyl-1H-indol-3-yl)methylideneamino]-4-methylbenzamide
CID 137029695

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide?
The IUPAC name of N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide (CID 135785163) is N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide.
What is the SMILES notation for N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide?
The canonical SMILES for N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide is Cc1ccc(NC(=O)C(=O)N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)cc1.
What is the InChIKey of N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide?
The InChIKey is BOMATSMGQGIFDJ-MFKUBSTISA-N. The full InChI is InChI=1S/C24H20N4O2/c1-16-11-13-18(14-12-16)26-23(29)24(30)28-25-15-20-19-9-5-6-10-21(19)27-22(20)17-7-3-2-4-8-17/h2-15,27H,1H3,(H,26,29)(H,28,30)/b25-15+.
What are the key properties of N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide?
N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide has a molecular weight of 396.45 g/mol, XLogP of 4.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N'-[(E)-(2-phenyl-1H-indol-3-yl)methylideneamino]oxamide is sourced from PubChem (CID 135785163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).