2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide

C24H29N3O2 — CID 15837958

IUPAC2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide
SMILESCCc1c(CC(=O)NN)c2cc(OC3CCCC3)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c1-2-22-21(15-24(28)26-25)20-14-19(29-18-10-6-7-11-18)12-13-23(20)27(22)16-17-8-4-3-5-9-17/h3-5,8-9,12-14,18H,2,6-7,10-11,15-16,25H2,1H3,(H,26,28)
InChIKeyGTRGZMPVGRXOSM-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.11
Rot. Bonds7

About 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide

2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide (PubChem CID 15837958) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide
PubChem CID15837958
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide
SMILESCCc1c(CC(=O)NN)c2cc(OC3CCCC3)ccc2n1Cc1ccccc1
InChIInChI=1S/C24H29N3O2/c1-2-22-21(15-24(28)26-25)20-14-19(29-18-10-6-7-11-18)12-13-23(20)27(22)16-17-8-4-3-5-9-17/h3-5,8-9,12-14,18H,2,6-7,10-11,15-16,25H2,1H3,(H,26,28)
InChIKeyGTRGZMPVGRXOSM-UHFFFAOYSA-N
XLogP4.11
TPSA69.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.11
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': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[5-cyclopentyloxy-2-ethyl-1-(2-phenylethyl)indol-3-yl]acetate
CID 174337924
ethyl 1-benzyl-3-(2-hydrazinyl-2-oxoethyl)-2-methylindole-5-carboxylate
CID 142656903
3-[1-benzyl-2-ethyl-3-(2-oxopropyl)indol-5-yl]oxypropylphosphonic acid
CID 20667723
2-[[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxymethyl]benzoic acid
CID 10623063
3-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindol-5-yl]oxypropyl-methoxyphosphinic acid
CID 10623151
2-[1-[(3-aminophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10712051
2-(1-benzyl-5-methoxy-2-propylindol-3-yl)acetic acid
CID 21191884
1-benzyl-2-ethyl-5-methoxyindol-3-amine
CID 58986334
methyl 2-[3-(2-amino-2-oxoethyl)-1-benzyl-2-ethylindole-5-carbonyl]benzoate
CID 67727130
1-[1-benzyl-5-(oxan-2-yloxy)-2-propan-2-ylindol-3-yl]-2-phenylethanone
CID 58986343
2-(1-benzyl-2-cyclopropyl-5-methoxyindol-3-yl)acetic acid
CID 21191871
2-[1-[(2-chlorophenyl)methyl]-5-methoxy-2-methylindol-3-yl]acetohydrazide
CID 10832199

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide?
The IUPAC name of 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide (CID 15837958) is 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide?
The canonical SMILES for 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide is CCc1c(CC(=O)NN)c2cc(OC3CCCC3)ccc2n1Cc1ccccc1.
What is the InChIKey of 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide?
The InChIKey is GTRGZMPVGRXOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-2-22-21(15-24(28)26-25)20-14-19(29-18-10-6-7-11-18)12-13-23(20)27(22)16-17-8-4-3-5-9-17/h3-5,8-9,12-14,18H,2,6-7,10-11,15-16,25H2,1H3,(H,26,28).
What are the key properties of 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide?
2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide has a molecular weight of 391.52 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzyl-5-cyclopentyloxy-2-ethylindol-3-yl)acetohydrazide is sourced from PubChem (CID 15837958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).