2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide

C17H17N3O2 — CID 24801935

IUPAC2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
SMILESNNC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H17N3O2/c18-20-17(21)8-13-10-19-16-7-6-14(9-15(13)16)22-11-12-4-2-1-3-5-12/h1-7,9-10,19H,8,11,18H2,(H,20,21)
InChIKeyNPXZEKUDZRRTQB-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.28
Rot. Bonds5

About 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide

2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide (PubChem CID 24801935) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide.

Molecular Properties

Compound Name2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
PubChem CID24801935
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide
SMILESNNC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12
InChIInChI=1S/C17H17N3O2/c18-20-17(21)8-13-10-19-16-7-6-14(9-15(13)16)22-11-12-4-2-1-3-5-12/h1-7,9-10,19H,8,11,18H2,(H,20,21)
InChIKeyNPXZEKUDZRRTQB-UHFFFAOYSA-N
XLogP2.28
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-phenylmethoxy-1H-indol-3-yl)methyl]prop-2-enoate
CID 15946338
N-methyl-2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine;oxalic acid
CID 25021298
N-methyl-4-(5-phenylmethoxy-1H-indol-3-yl)butanamide
CID 157150353
dihydrogen phosphate;2-(5-phenylmethoxy-1H-indol-3-yl)ethylazanium
CID 139051934
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
diethyl 2-amino-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanedioate
CID 11502438
ethyl 2-(5-phenylmethoxy-1H-indol-3-yl)acetate;nitromethane
CID 142512839
2-acetamido-3-(5-phenylmethoxy-1H-indol-3-yl)propanoic acid
CID 2735234
(2R)-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 129363588
2-acetamido-3-ethoxy-3-oxo-2-[(5-phenylmethoxy-1H-indol-3-yl)methyl]propanoic acid
CID 154287399
ethyl (E)-4-(5-phenylmethoxy-1H-indol-3-yl)but-2-enoate
CID 19372353
N-methyl-3-(5-phenylmethoxy-1H-indol-3-yl)propan-1-amine
CID 83968706

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide?
The IUPAC name of 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide (CID 24801935) is 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide.
What is the SMILES notation for 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide?
The canonical SMILES for 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide is NNC(=O)Cc1c[nH]c2ccc(OCc3ccccc3)cc12.
What is the InChIKey of 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide?
The InChIKey is NPXZEKUDZRRTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c18-20-17(21)8-13-10-19-16-7-6-14(9-15(13)16)22-11-12-4-2-1-3-5-12/h1-7,9-10,19H,8,11,18H2,(H,20,21).
What are the key properties of 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide?
2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide has a molecular weight of 295.34 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenylmethoxy-1H-indol-3-yl)acetohydrazide is sourced from PubChem (CID 24801935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).