N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide

C14H19N3O — CID 116846510

IUPACN'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
SMILESCNNC(=O)CCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10-11(7-5-9-14(18)17-15-2)12-6-3-4-8-13(12)16-10/h3-4,6,8,15-16H,5,7,9H2,1-2H3,(H,17,18)
InChIKeyMLGGJQUEQDKSRU-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds5

About N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide

N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide (PubChem CID 116846510) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide.

Molecular Properties

Compound NameN'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
PubChem CID116846510
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide
SMILESCNNC(=O)CCCc1c(C)[nH]c2ccccc12
InChIInChI=1S/C14H19N3O/c1-10-11(7-5-9-14(18)17-15-2)12-6-3-4-8-13(12)16-10/h3-4,6,8,15-16H,5,7,9H2,1-2H3,(H,17,18)
InChIKeyMLGGJQUEQDKSRU-UHFFFAOYSA-N
XLogP2.05
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(2-methyl-1H-indol-3-yl)pentan-2-one
CID 116927762
methyl 4-(2-methyl-1H-indol-3-yl)butanoate
CID 10609557
N'-[3-(2-methyl-1H-indol-3-yl)propyl]octanediamide
CID 167105628
[[8-[2-(2-methyl-1H-indol-3-yl)ethylamino]-8-oxooctanoyl]amino]oxidanium
CID 148932122
N-[2-(2-methyl-1H-indol-3-yl)ethyl]-3-oxobutanamide
CID 71492148
4-amino-N-[(2-methyl-1H-indol-3-yl)methyl]butanamide
CID 115155288
2-(2-methyl-1H-indol-3-yl)ethylcarbamic acid
CID 115171128
N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789052
bis(2-(2-methyl-1H-indol-3-yl)ethanamine);hydrochloride
CID 169440945
3-(3-chloropropyl)-2-methyl-1H-indole
CID 13022442
2-methyl-N-[2-(2-methyl-1H-indol-3-yl)ethyl]propanamide
CID 110789053
1-methyl-3-[(2-methyl-1H-indol-3-yl)methyl]urea
CID 115169132

Frequently Asked Questions

What is the IUPAC name of N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide?
The IUPAC name of N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide (CID 116846510) is N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide.
What is the SMILES notation for N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide?
The canonical SMILES for N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide is CNNC(=O)CCCc1c(C)[nH]c2ccccc12.
What is the InChIKey of N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide?
The InChIKey is MLGGJQUEQDKSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-11(7-5-9-14(18)17-15-2)12-6-3-4-8-13(12)16-10/h3-4,6,8,15-16H,5,7,9H2,1-2H3,(H,17,18).
What are the key properties of N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide?
N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide has a molecular weight of 245.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-4-(2-methyl-1H-indol-3-yl)butanehydrazide is sourced from PubChem (CID 116846510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).