N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

C19H19N3O — CID 5411943

IUPACN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C19H19N3O/c1-13-7-8-15(14(2)9-13)12-21-22-19(23)10-16-11-20-18-6-4-3-5-17(16)18/h3-9,11-12,20H,10H2,1-2H3,(H,22,23)/b21-12-
InChIKeyFIMAZZPSKRPBJT-MTJSOVHGSA-N
MW305.38 g/mol
LogP3.48
Rot. Bonds4

About N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide

N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (PubChem CID 5411943) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
PubChem CID5411943
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC NameN-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
SMILESCc1ccc(/C=N\NC(=O)Cc2c[nH]c3ccccc23)c(C)c1
InChIInChI=1S/C19H19N3O/c1-13-7-8-15(14(2)9-13)12-21-22-19(23)10-16-11-20-18-6-4-3-5-17(16)18/h3-9,11-12,20H,10H2,1-2H3,(H,22,23)/b21-12-
InChIKeyFIMAZZPSKRPBJT-MTJSOVHGSA-N
XLogP3.48
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-phenylacetamide
CID 5419138
N-[(E)-1H-indol-3-ylmethylideneamino]-2-(4-methylphenyl)acetamide
CID 172980542
N-[(3,4-dibromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 6736385
N-[(E)-(4-hydroxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 136627449
2-(1H-indol-3-yl)-N-[(E)-(4-nitrosophenyl)methylideneamino]acetamide
CID 143326661
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 5371768
N-[(E)-(5-bromo-2-hydroxy-3-methoxyphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 135804145
2-(1H-indol-3-yl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 90481709
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide
CID 42034300
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]-2-(1H-indol-3-yl)acetamide
CID 139074548
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
N-[(2-hydroxy-5-methylphenyl)methylideneamino]-2-naphthalen-1-ylacetamide
CID 689528

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The IUPAC name of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide (CID 5411943) is N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide.
What is the SMILES notation for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The canonical SMILES for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is Cc1ccc(/C=N\NC(=O)Cc2c[nH]c3ccccc23)c(C)c1.
What is the InChIKey of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
The InChIKey is FIMAZZPSKRPBJT-MTJSOVHGSA-N. The full InChI is InChI=1S/C19H19N3O/c1-13-7-8-15(14(2)9-13)12-21-22-19(23)10-16-11-20-18-6-4-3-5-17(16)18/h3-9,11-12,20H,10H2,1-2H3,(H,22,23)/b21-12-.
What are the key properties of N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide?
N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide has a molecular weight of 305.38 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2,4-dimethylphenyl)methylideneamino]-2-(1H-indol-3-yl)acetamide is sourced from PubChem (CID 5411943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).