2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide

C19H19N3O3 — CID 26901683

IUPAC2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H19N3O3/c1-13-5-4-6-15(9-13)25-12-19(24)22-21-18(23)10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11,20H,10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyQNJXZKDWLXNNKX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.25
Rot. Bonds5

About 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide

2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide (PubChem CID 26901683) 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-(3-methylphenoxy)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
PubChem CID26901683
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
SMILESCc1cccc(OCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1
InChIInChI=1S/C19H19N3O3/c1-13-5-4-6-15(9-13)25-12-19(24)22-21-18(23)10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11,20H,10,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyQNJXZKDWLXNNKX-UHFFFAOYSA-N
XLogP2.25
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.25
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

(2S)-3-(1H-indol-3-yl)-2-[[2-(3-methylphenoxy)acetyl]amino]propanoate
CID 6972941
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
2-(1H-indol-3-yl)-1-[4-[2-(3-methylphenoxy)acetyl]piperazin-1-yl]ethanone
CID 55810440
2-(1H-indol-3-yl)-N-[3-[2-(methylamino)-2-oxoethoxy]phenyl]acetamide
CID 38738127
2-(3-ethoxyphenoxy)-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 112977733
N'-[2-(2,5-dimethyl-1H-indol-3-yl)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905462
N'-[2-(2,4-difluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 31905428
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
2-(3-methylphenoxy)-N-(quinolin-4-ylmethyl)acetamide
CID 110734260
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-(1H-indol-3-yl)-N'-(2-phenylmethoxyacetyl)acetohydrazide
CID 102603627
N'-[2-(1H-indol-3-yl)acetyl]-4-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]benzohydrazide
CID 38035970

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
The IUPAC name of 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide (CID 26901683) is 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
The canonical SMILES for 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide is Cc1cccc(OCC(=O)NNC(=O)Cc2c[nH]c3ccccc23)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
The InChIKey is QNJXZKDWLXNNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-5-4-6-15(9-13)25-12-19(24)22-21-18(23)10-14-11-20-17-8-3-2-7-16(14)17/h2-9,11,20H,10,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of 2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide?
2-(1H-indol-3-yl)-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide has a molecular weight of 337.38 g/mol, XLogP of 2.25, 5 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-(3-methylphenoxy)acetyl]acetohydrazide is sourced from PubChem (CID 26901683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).