N'-hexanoyl-1-methylindole-3-carbohydrazide

C16H21N3O2 — CID 46549476

IUPACN'-hexanoyl-1-methylindole-3-carbohydrazide
SMILESCCCCCC(=O)NNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-4-5-10-15(20)17-18-16(21)13-11-19(2)14-9-7-6-8-12(13)14/h6-9,11H,3-5,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySSQBYCLFNVETAD-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.52
Rot. Bonds5

About N'-hexanoyl-1-methylindole-3-carbohydrazide

N'-hexanoyl-1-methylindole-3-carbohydrazide (PubChem CID 46549476) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N'-hexanoyl-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-hexanoyl-1-methylindole-3-carbohydrazide
PubChem CID46549476
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN'-hexanoyl-1-methylindole-3-carbohydrazide
SMILESCCCCCC(=O)NNC(=O)c1cn(C)c2ccccc12
InChIInChI=1S/C16H21N3O2/c1-3-4-5-10-15(20)17-18-16(21)13-11-19(2)14-9-7-6-8-12(13)14/h6-9,11H,3-5,10H2,1-2H3,(H,17,20)(H,18,21)
InChIKeySSQBYCLFNVETAD-UHFFFAOYSA-N
XLogP2.52
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-hexanoyl-1-methylindole-3-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(1-methylindole-3-carbonyl)amino]-3-pentylthiourea
CID 9187866
1-(1-methylindol-3-yl)octan-1-one
CID 43340220
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
N'-octadecanoylnaphthalene-1-carbohydrazide
CID 22613560
N-ethyl-1-methylindole-3-carboxamide
CID 25348690
1-methyl-N'-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanoyl]indole-3-carbohydrazide
CID 24532442
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
1-(4-butylphenyl)-3-[(1-methylindole-3-carbonyl)amino]thiourea
CID 8017250
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
CID 26815658
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
2,4-dimethyl-N-[3-[2-(1-methylindole-3-carbonyl)hydrazinyl]-3-oxopropyl]benzenesulfonamide
CID 55408588

Frequently Asked Questions

What is the IUPAC name of N'-hexanoyl-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-hexanoyl-1-methylindole-3-carbohydrazide (CID 46549476) is N'-hexanoyl-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-hexanoyl-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-hexanoyl-1-methylindole-3-carbohydrazide is CCCCCC(=O)NNC(=O)c1cn(C)c2ccccc12.
What is the InChIKey of N'-hexanoyl-1-methylindole-3-carbohydrazide?
The InChIKey is SSQBYCLFNVETAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-4-5-10-15(20)17-18-16(21)13-11-19(2)14-9-7-6-8-12(13)14/h6-9,11H,3-5,10H2,1-2H3,(H,17,20)(H,18,21).
What are the key properties of N'-hexanoyl-1-methylindole-3-carbohydrazide?
N'-hexanoyl-1-methylindole-3-carbohydrazide has a molecular weight of 287.36 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexanoyl-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 46549476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).