1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide

C24H21N3O4 — CID 25468814

IUPAC1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H21N3O4/c1-27-15-21(20-9-5-6-10-22(20)27)24(29)26-25-23(28)16-30-17-11-13-19(14-12-17)31-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMYAVCAQWAJNTGZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP3.81
Rot. Bonds6

About 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide

1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide (PubChem CID 25468814) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide.

Molecular Properties

Compound Name1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
PubChem CID25468814
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
SMILESCn1cc(C(=O)NNC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccccc21
InChIInChI=1S/C24H21N3O4/c1-27-15-21(20-9-5-6-10-22(20)27)24(29)26-25-23(28)16-30-17-11-13-19(14-12-17)31-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,28)(H,26,29)
InChIKeyMYAVCAQWAJNTGZ-UHFFFAOYSA-N
XLogP3.81
TPSA81.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 53.81
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'-hexanoyl-1-methylindole-3-carbohydrazide
CID 46549476
N'-[6-(4-bromophenoxy)pyridine-3-carbonyl]-1-methylindole-3-carbohydrazide
CID 55792056
N'-(2,4-dimethoxybenzoyl)-1-methylindole-3-carbohydrazide
CID 40717267
N-[2-(4-methoxyphenoxy)ethyl]-1-methylindole-3-carboxamide
CID 17492048
1-methyl-N'-[2-(3-methyl-2-oxobenzimidazol-1-yl)acetyl]indole-3-carbohydrazide
CID 24607822
N'-[3-[3-(4-methoxyphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]propanoyl]-1-methylindole-3-carbohydrazide
CID 24554218
N'-(4-chlorobenzoyl)-1-methylindole-3-carbohydrazide
CID 9206903
1-methyl-N-phenylindole-3-carboxamide
CID 9038340
N-[(4-methoxyphenyl)methyl]-1-methylindole-3-carboxamide
CID 9208154
4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
1-methyl-N'-[3-(1-phenylpyrazol-4-yl)propanoyl]indole-3-carbohydrazide
CID 26815658
N'-[4-(2,5-dimethylphenyl)-4-oxobutanoyl]-1-methylindole-3-carbohydrazide
CID 40717339

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide?
The IUPAC name of 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide (CID 25468814) is 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide.
What is the SMILES notation for 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide?
The canonical SMILES for 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide is Cn1cc(C(=O)NNC(=O)COc2ccc(Oc3ccccc3)cc2)c2ccccc21.
What is the InChIKey of 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide?
The InChIKey is MYAVCAQWAJNTGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-27-15-21(20-9-5-6-10-22(20)27)24(29)26-25-23(28)16-30-17-11-13-19(14-12-17)31-18-7-3-2-4-8-18/h2-15H,16H2,1H3,(H,25,28)(H,26,29).
What are the key properties of 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide?
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide has a molecular weight of 415.45 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide is sourced from PubChem (CID 25468814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).