N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide

C21H24N4O2 — CID 52949047

IUPACN-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide
SMILESCC(=O)N1CC(=NNC(=O)C(C)Nc2c(C)cccc2C)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-13-8-7-9-14(2)20(13)22-15(3)21(27)24-23-18-12-25(16(4)26)19-11-6-5-10-17(18)19/h5-11,15,22H,12H2,1-4H3,(H,24,27)
InChIKeyLJVBZYDJKQFPJG-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.99
Rot. Bonds4

About N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide

N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide (PubChem CID 52949047) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide.

Molecular Properties

Compound NameN-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide
PubChem CID52949047
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide
SMILESCC(=O)N1CC(=NNC(=O)C(C)Nc2c(C)cccc2C)c2ccccc21
InChIInChI=1S/C21H24N4O2/c1-13-8-7-9-14(2)20(13)22-15(3)21(27)24-23-18-12-25(16(4)26)19-11-6-5-10-17(18)19/h5-11,15,22H,12H2,1-4H3,(H,24,27)
InChIKeyLJVBZYDJKQFPJG-UHFFFAOYSA-N
XLogP2.99
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.99
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-(2,3-dihydro-1H-indol-1-yl)-N-(2,5-dioxo-4-phenylpiperazino)acetamide
CID 2817037
2-(2-methylanilino)-N-[(Z)-[(3E,5E)-6-phenylhexa-3,5-dien-2-ylidene]amino]acetamide
CID 6241538
N-(sec-butyl)-2-(2-oxo-5-phenyl-2,3-dihydro-1H-1,4-benzodiazepin-1-yl)acetamide
CID 15992383
2-[3-(3,4-Dimethylphenyl)-6-oxo-1,6-dihydropyridazin-1-YL]-N-(2-ethylphenyl)propanamide
CID 16014948
N-{3-[Ethyl(phenyl)amino]propyl}-2-[3-(4-methylphenyl)-6-oxo-1,4,5,6-tetrahydropyridazin-1-YL]acetamide
CID 16034264
2-Anilino-N'-(1-phenylethylidene)acetohydrazide
CID 9592498
2-(2,4-dimethylanilino)-N'-(5-isopropenyl-2-methyl-2-cyclohexen-1-ylidene)acetohydrazide
CID 5832044
1-(2-(mesitylamino)-2-oxoethyl)-6-oxo-N-(p-tolyl)-1,6-dihydropyridazine-3-carboxamide
CID 16033094
N-(2,6-dimethylphenyl)-2-[4-[4-oxo-4-(5-phenyl-3,4-dihydropyrazol-2-yl)butanoyl]piperazin-1-yl]acetamide
CID 16313611
2-(2,3-dihydroindol-1-yl)-N-(1-phenylethyl)acetamide
CID 5203469
(3E)-N-ethyl-3-{[[(4-ethylphenyl)amino](oxo)acetyl]hydrazono}butanamide
CID 6160840
N-((1E)-3-{N-[4-(dimethylamino)phenyl]carbamoyl}-2-methyl-1-azaprop-1-enyl)-N'-benzylethane-1,2-diamide
CID 9592166

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide?
The IUPAC name of N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide (CID 52949047) is N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide.
What is the SMILES notation for N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide?
The canonical SMILES for N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide is CC(=O)N1CC(=NNC(=O)C(C)Nc2c(C)cccc2C)c2ccccc21.
What is the InChIKey of N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide?
The InChIKey is LJVBZYDJKQFPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-8-7-9-14(2)20(13)22-15(3)21(27)24-23-18-12-25(16(4)26)19-11-6-5-10-17(18)19/h5-11,15,22H,12H2,1-4H3,(H,24,27).
What are the key properties of N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide?
N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide has a molecular weight of 364.45 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetyl-2H-indol-3-ylidene)amino]-2-(2,6-dimethylanilino)propanamide is sourced from PubChem (CID 52949047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).