2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide

C19H19N3O3 — CID 102603627

IUPAC2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
SMILESO=C(COCc1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c23-18(10-15-11-20-17-9-5-4-8-16(15)17)21-22-19(24)13-25-12-14-6-2-1-3-7-14/h1-9,11,20H,10,12-13H2,(H,21,23)(H,22,24)
InChIKeyHXEPSLLOBXIBHE-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.07
Rot. Bonds6

About 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide

2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide (PubChem CID 102603627) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
PubChem CID102603627
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
SMILESO=C(COCc1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12
InChIInChI=1S/C19H19N3O3/c23-18(10-15-11-20-17-9-5-4-8-16(15)17)21-22-19(24)13-25-12-14-6-2-1-3-7-14/h1-9,11,20H,10,12-13H2,(H,21,23)(H,22,24)
InChIKeyHXEPSLLOBXIBHE-UHFFFAOYSA-N
XLogP2.07
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-fluorophenyl)-N'-[2-(1H-indol-3-yl)acetyl]acetohydrazide
CID 31772931
1-[[2-(1H-indol-3-yl)acetyl]amino]-3-phenylurea
CID 5058781
N'-[2-(1H-indol-3-yl)acetyl]-4-(2,2,2-trifluoroethoxymethyl)benzohydrazide
CID 18269145
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
4-(1H-indol-3-yl)-N'-[2-(1H-indol-3-yl)acetyl]butanehydrazide
CID 29437828
N-hydroxy-2-(1H-indol-3-yl)acetamide
CID 13058633
N'-[2-(1H-indol-3-yl)acetyl]-3-methylsulfanylpropanehydrazide
CID 18164303
N-[3-[2-[2-(1H-indol-3-yl)acetyl]hydrazinyl]-3-oxopropyl]benzamide
CID 26933063
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 26901683
2-(1H-indol-3-yl)-N-phenylmethoxyethanamine;hydrochloride
CID 158104456
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide?
The IUPAC name of 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide (CID 102603627) is 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide?
The canonical SMILES for 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide is O=C(COCc1ccccc1)NNC(=O)Cc1c[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide?
The InChIKey is HXEPSLLOBXIBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-18(10-15-11-20-17-9-5-4-8-16(15)17)21-22-19(24)13-25-12-14-6-2-1-3-7-14/h1-9,11,20H,10,12-13H2,(H,21,23)(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide?
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide has a molecular weight of 337.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide is sourced from PubChem (CID 102603627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).