2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

C19H20N4O — CID 968085

IUPAC2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1ccccc1NCC(=O)NN=Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H20N4O/c1-13-7-3-5-9-17(13)20-12-19(24)23-21-11-16-14(2)22-18-10-6-4-8-15(16)18/h3-11,20,22H,12H2,1-2H3,(H,23,24)
InChIKeyCNPXHZNMDJPOMH-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.35
Rot. Bonds5

About 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide

2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (PubChem CID 968085) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
PubChem CID968085
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
SMILESCc1ccccc1NCC(=O)NN=Cc1c(C)[nH]c2ccccc12
InChIInChI=1S/C19H20N4O/c1-13-7-3-5-9-17(13)20-12-19(24)23-21-11-16-14(2)22-18-10-6-4-8-15(16)18/h3-11,20,22H,12H2,1-2H3,(H,23,24)
InChIKeyCNPXHZNMDJPOMH-UHFFFAOYSA-N
XLogP3.35
TPSA69.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

2-(4-methoxyanilino)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 136899315
N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]-3-phenylpropanamide
CID 135420145
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
CID 948392
2-(2,3-dimethylphenoxy)-N-[(Z)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135922503
2-(3,4-dimethylphenoxy)-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 135569427
2-(4-bromo-2,6-dimethylphenoxy)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 4660446
3,4,5-trimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135648148
3,4-dimethoxy-N-[2-[(2E)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
CID 135650440
(E)-3-(2-methoxyphenyl)-N-[2-[(2Z)-2-[(2-methyl-1H-indol-3-yl)methylidene]hydrazinyl]-2-oxoethyl]prop-2-enamide
CID 136911340
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
(1S)-2,2-dibromo-1-methyl-N-[(E)-(2-methyl-1H-indol-3-yl)methylideneamino]cyclopropane-1-carboxamide
CID 135682606

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide (CID 968085) is 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is Cc1ccccc1NCC(=O)NN=Cc1c(C)[nH]c2ccccc12.
What is the InChIKey of 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
The InChIKey is CNPXHZNMDJPOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-7-3-5-9-17(13)20-12-19(24)23-21-11-16-14(2)22-18-10-6-4-8-15(16)18/h3-11,20,22H,12H2,1-2H3,(H,23,24).
What are the key properties of 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide?
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide has a molecular weight of 320.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 968085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).