N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide

C21H21N3O2 — CID 40717487

IUPACN'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-24-13-18(17-7-2-3-8-19(17)24)21(26)23-22-20(25)12-14-9-10-15-5-4-6-16(15)11-14/h2-3,7-11,13H,4-6,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyLOUNBHDEROEUMA-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.67
Rot. Bonds3

About N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide

N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide (PubChem CID 40717487) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
PubChem CID40717487
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC NameN'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)c2ccccc21
InChIInChI=1S/C21H21N3O2/c1-24-13-18(17-7-2-3-8-19(17)24)21(26)23-22-20(25)12-14-9-10-15-5-4-6-16(15)11-14/h2-3,7-11,13H,4-6,12H2,1H3,(H,22,25)(H,23,26)
InChIKeyLOUNBHDEROEUMA-UHFFFAOYSA-N
XLogP2.67
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
1-methyl-N'-[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]indole-3-carbohydrazide
CID 40717499
3-ethyl-4-oxo-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]phthalazine-1-carbohydrazide
CID 35767282
2,5-dimethyl-N'-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]furan-3-carbohydrazide
CID 39708207
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339
N'-[2-(1,4-dioxo-3H-phthalazin-2-yl)acetyl]-1-methylindole-3-carbohydrazide
CID 40716285
N'-(2,5-dimethylthiophene-3-carbonyl)-1-methylindole-3-carbohydrazide
CID 31737928
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814
3-methyl-N-[2-[2-(1-methylindole-3-carbonyl)hydrazinyl]-2-oxoethyl]benzamide
CID 40717303
N'-(1-benzofuran-2-carbonyl)-1-methylindole-3-carbohydrazide
CID 40717335
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide?
The IUPAC name of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide (CID 40717487) is N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide?
The canonical SMILES for N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)Cc2ccc3c(c2)CCC3)c2ccccc21.
What is the InChIKey of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide?
The InChIKey is LOUNBHDEROEUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-24-13-18(17-7-2-3-8-19(17)24)21(26)23-22-20(25)12-14-9-10-15-5-4-6-16(15)11-14/h2-3,7-11,13H,4-6,12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide?
N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide has a molecular weight of 347.42 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-1-methylindole-3-carbohydrazide is sourced from PubChem (CID 40717487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).