N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide

C20H21N3O3 — CID 17080326

IUPACN'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)Cn2ccc3ccccc32)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-5-8-17(12-14)26-15(2)20(25)22-21-19(24)13-23-11-10-16-7-3-4-9-18(16)23/h3-12,15H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIFAPHZTZKOFTNM-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.56
Rot. Bonds5

About N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide

N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide (PubChem CID 17080326) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide
PubChem CID17080326
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide
SMILESCc1cccc(OC(C)C(=O)NNC(=O)Cn2ccc3ccccc32)c1
InChIInChI=1S/C20H21N3O3/c1-14-6-5-8-17(12-14)26-15(2)20(25)22-21-19(24)13-23-11-10-16-7-3-4-9-18(16)23/h3-12,15H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyIFAPHZTZKOFTNM-UHFFFAOYSA-N
XLogP2.56
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17080332
N'-(2-indol-1-ylacetyl)-2-(4-phenylphenoxy)propanehydrazide
CID 17080362
2-(2,4-dichlorophenoxy)-N'-(2-indol-1-ylacetyl)propanehydrazide
CID 17080287
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
3-[(2-indol-1-ylacetyl)amino]-3-(3-methylphenyl)propanoic acid
CID 166319506
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
N'-(2,2-diphenylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 4931348
N'-[2-(3-methylphenoxy)acetyl]-2-(4-propan-2-ylphenoxy)propanehydrazide
CID 4953842
2-(4-fluorophenoxy)-N'-[2-(3-methylphenoxy)acetyl]propanehydrazide
CID 24638267
N'-[2-(4-chloro-2-methylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080283
(2S)-2-(3-methylphenoxy)-N'-[3-(4-phenylpiperazin-1-ium-1-yl)propanoyl]propanehydrazide
CID 7550974
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956

Frequently Asked Questions

What is the IUPAC name of N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide?
The IUPAC name of N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide (CID 17080326) is N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide.
What is the SMILES notation for N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide?
The canonical SMILES for N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide is Cc1cccc(OC(C)C(=O)NNC(=O)Cn2ccc3ccccc32)c1.
What is the InChIKey of N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide?
The InChIKey is IFAPHZTZKOFTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-6-5-8-17(12-14)26-15(2)20(25)22-21-19(24)13-23-11-10-16-7-3-4-9-18(16)23/h3-12,15H,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide?
N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide has a molecular weight of 351.41 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide is sourced from PubChem (CID 17080326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).