N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide

C20H22N4O — CID 948392

IUPACN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)NN=Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C20H22N4O/c1-14-8-4-6-10-18(14)21-13-20(25)23-22-12-17-15(2)24(3)19-11-7-5-9-16(17)19/h4-12,21H,13H2,1-3H3,(H,23,25)
InChIKeyXAGOQCJLEKXNQS-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.36
Rot. Bonds5

About N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide

N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide (PubChem CID 948392) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
PubChem CID948392
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC NameN-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide
SMILESCc1ccccc1NCC(=O)NN=Cc1c(C)n(C)c2ccccc12
InChIInChI=1S/C20H22N4O/c1-14-8-4-6-10-18(14)21-13-20(25)23-22-12-17-15(2)24(3)19-11-7-5-9-16(17)19/h4-12,21H,13H2,1-3H3,(H,23,25)
InChIKeyXAGOQCJLEKXNQS-UHFFFAOYSA-N
XLogP3.36
TPSA58.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-chlorophenyl)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 955693
2-(4-chlorophenyl)-N-[(Z)-(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 5425745
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-phenoxyacetamide
CID 3510874
2-(2-methylanilino)-N-[(2-methyl-1H-indol-3-yl)methylideneamino]acetamide
CID 968085
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
2-(2-methylanilino)-N-[(Z)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
CID 5405124
2-(4-bromo-2,6-dimethylphenoxy)-N-[(1,2-dimethylindol-3-yl)methylideneamino]acetamide
CID 1216078
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 4296010
N-[(Z)-[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-(naphthalen-1-ylamino)acetamide
CID 126394581
4-chloro-N-[(E)-(1,2-dimethylindol-3-yl)methylideneamino]benzamide
CID 21379721
2-(2-methylanilino)-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
CID 6872977
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-nitrophenoxy)acetamide
CID 1040215

Frequently Asked Questions

What is the IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide?
The IUPAC name of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide (CID 948392) is N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide.
What is the SMILES notation for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide?
The canonical SMILES for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide is Cc1ccccc1NCC(=O)NN=Cc1c(C)n(C)c2ccccc12.
What is the InChIKey of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide?
The InChIKey is XAGOQCJLEKXNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-8-4-6-10-18(14)21-13-20(25)23-22-12-17-15(2)24(3)19-11-7-5-9-16(17)19/h4-12,21H,13H2,1-3H3,(H,23,25).
What are the key properties of N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide?
N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide has a molecular weight of 334.42 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,2-dimethylindol-3-yl)methylideneamino]-2-(2-methylanilino)acetamide is sourced from PubChem (CID 948392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).