N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide

C20H21N3O4 — CID 17080332

IUPACN'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1
InChIInChI=1S/C20H21N3O4/c1-14(27-17-9-7-16(26-2)8-10-17)20(25)22-21-19(24)13-23-12-11-15-5-3-4-6-18(15)23/h3-12,14H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDGKXOMYRGPSPNK-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.26
Rot. Bonds6

About N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide

N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide (PubChem CID 17080332) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide.

Molecular Properties

Compound NameN'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
PubChem CID17080332
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC NameN'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
SMILESCOc1ccc(OC(C)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1
InChIInChI=1S/C20H21N3O4/c1-14(27-17-9-7-16(26-2)8-10-17)20(25)22-21-19(24)13-23-12-11-15-5-3-4-6-18(15)23/h3-12,14H,13H2,1-2H3,(H,21,24)(H,22,25)
InChIKeyDGKXOMYRGPSPNK-UHFFFAOYSA-N
XLogP2.26
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-phenylphenoxy)propanehydrazide
CID 17080362
N'-(2-indol-1-ylacetyl)-2-(3-methylphenoxy)propanehydrazide
CID 17080326
2-(2,4-dichlorophenoxy)-N'-(2-indol-1-ylacetyl)propanehydrazide
CID 17080287
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N'-(2-indol-1-ylacetyl)-2,2-diphenylacetohydrazide
CID 17080273
2-indol-1-yl-N-[(4-methoxyphenyl)methyl]acetamide
CID 4224442
N'-(2-ethoxyacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17140896
(2R)-N'-[2-(4-methoxyphenyl)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 7927347
(2S)-N'-[2-(4-methoxyphenoxy)acetyl]-2-naphthalen-2-yloxypropanehydrazide
CID 8757594
4-[2-[2-(4-methoxyphenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4942937
2-indol-1-yl-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 110702432
N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
CID 17080278

Frequently Asked Questions

What is the IUPAC name of N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide?
The IUPAC name of N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide (CID 17080332) is N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide.
What is the SMILES notation for N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide?
The canonical SMILES for N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide is COc1ccc(OC(C)C(=O)NNC(=O)Cn2ccc3ccccc32)cc1.
What is the InChIKey of N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide?
The InChIKey is DGKXOMYRGPSPNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-14(27-17-9-7-16(26-2)8-10-17)20(25)22-21-19(24)13-23-12-11-15-5-3-4-6-18(15)23/h3-12,14H,13H2,1-2H3,(H,21,24)(H,22,25).
What are the key properties of N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide?
N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide has a molecular weight of 367.41 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide is sourced from PubChem (CID 17080332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).