3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

C20H20N4O3 — CID 40717303

IUPAC3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C20H20N4O3/c1-13-6-5-7-14(10-13)19(26)21-11-18(25)22-23-20(27)16-12-24(2)17-9-4-3-8-15(16)17/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyUMBVSJFGEYFZFL-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.68
Rot. Bonds4

About 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide

3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (PubChem CID 40717303) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
PubChem CID40717303
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
SMILESCc1cccc(C(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1
InChIInChI=1S/C20H20N4O3/c1-13-6-5-7-14(10-13)19(26)21-11-18(25)22-23-20(27)16-12-24(2)17-9-4-3-8-15(16)17/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,25)(H,23,27)
InChIKeyUMBVSJFGEYFZFL-UHFFFAOYSA-N
XLogP1.68
TPSA92.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]-3-nitrobenzamide
CID 24554224
3-methyl-N-[2-oxo-2-[2-(2-pyrrol-1-ylbenzoyl)hydrazinyl]ethyl]benzamide
CID 7677873
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
N-[2-(dimethylamino)-2-(1-methylindol-3-yl)ethyl]-3-methylbenzamide
CID 90490695
N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
1-(3,5-dimethylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8001040
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55408588
N-[2-[2-(3,5-dimethoxybenzoyl)hydrazinyl]-2-oxoethyl]-3-methylbenzamide
CID 9496139
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide (CID 40717303) is 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is Cc1cccc(C(=O)NCC(=O)NNC(=O)c2cn(C)c3ccccc23)c1.
What is the InChIKey of 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
The InChIKey is UMBVSJFGEYFZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-13-6-5-7-14(10-13)19(26)21-11-18(25)22-23-20(27)16-12-24(2)17-9-4-3-8-15(16)17/h3-10,12H,11H2,1-2H3,(H,21,26)(H,22,25)(H,23,27).
What are the key properties of 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide?
3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 1.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 40717303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).