2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide

C20H31N3O2 — CID 70239958

IUPAC2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
SMILESCCCCCCCCn1c(C)c(CC(=O)NN)c2cc(OC)ccc21
InChIInChI=1S/C20H31N3O2/c1-4-5-6-7-8-9-12-23-15(2)17(14-20(24)22-21)18-13-16(25-3)10-11-19(18)23/h10-11,13H,4-9,12,14,21H2,1-3H3,(H,22,24)
InChIKeyHKUOTLHVBNNNJO-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.85
Rot. Bonds10

About 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide

2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide (PubChem CID 70239958) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
PubChem CID70239958
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide
SMILESCCCCCCCCn1c(C)c(CC(=O)NN)c2cc(OC)ccc21
InChIInChI=1S/C20H31N3O2/c1-4-5-6-7-8-9-12-23-15(2)17(14-20(24)22-21)18-13-16(25-3)10-11-19(18)23/h10-11,13H,4-9,12,14,21H2,1-3H3,(H,22,24)
InChIKeyHKUOTLHVBNNNJO-UHFFFAOYSA-N
XLogP3.85
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-methoxy-2-methyl-1-tetradecylindol-3-yl)acetic acid
CID 21191866
3-(5-methoxy-2-methyl-1-octadecylindol-3-yl)propanoic acid
CID 70340163
2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10832199
2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10712051
2-[[2-(1-benzyl-5-methoxy-2-methylindol-3-yl)acetyl]amino]-N,N-dimethyloctanamide
CID 67563171
methyl 7-methoxy-9-pentylcarbazole-3-carboxylate
CID 66739573
2-[5-methoxy-2-methyl-1-(2-methylpropyl)indol-3-yl]acetic acid
CID 23368755
5-methoxy-1,2-dimethyl-3-pentylindole
CID 129194157
9-butyl-3-methoxycarbazole
CID 132503458
7-methoxy-9-pentylcarbazole-3-carboxylic acid
CID 66739603
2-[1-[[2-[7-[2-[[3-(2-amino-2-oxoethyl)-5-methoxy-2-methylindol-1-yl]methyl]phenoxy]heptoxy]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 24860466
2-[1-[[2-[9-[2-[[3-(2-amino-2-oxoethyl)-5-methoxy-2-methylindol-1-yl]methyl]phenoxy]nonoxy]phenyl]methyl]-5-methoxy-2-methylindol-3-yl]acetamide
CID 24860468

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide?
The IUPAC name of 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide (CID 70239958) is 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide?
The canonical SMILES for 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide is CCCCCCCCn1c(C)c(CC(=O)NN)c2cc(OC)ccc21.
What is the InChIKey of 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide?
The InChIKey is HKUOTLHVBNNNJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-4-5-6-7-8-9-12-23-15(2)17(14-20(24)22-21)18-13-16(25-3)10-11-19(18)23/h10-11,13H,4-9,12,14,21H2,1-3H3,(H,22,24).
What are the key properties of 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide?
2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide has a molecular weight of 345.49 g/mol, XLogP of 3.85, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-1-octylindol-3-yl)acetohydrazide is sourced from PubChem (CID 70239958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).