N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide

C19H19N3O4 — CID 30455658

IUPACN'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O4/c1-2-25-13-7-9-14(10-8-13)26-12-18(23)21-22-19(24)16-11-20-17-6-4-3-5-15(16)17/h3-11,20H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyGPVQEHBEUUCLRG-UHFFFAOYSA-N
MW353.38 g/mol
LogP2.41
Rot. Bonds6

About N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide

N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide (PubChem CID 30455658) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
PubChem CID30455658
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
SMILESCCOc1ccc(OCC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1
InChIInChI=1S/C19H19N3O4/c1-2-25-13-7-9-14(10-8-13)26-12-18(23)21-22-19(24)16-11-20-17-6-4-3-5-15(16)17/h3-11,20H,2,12H2,1H3,(H,21,23)(H,22,24)
InChIKeyGPVQEHBEUUCLRG-UHFFFAOYSA-N
XLogP2.41
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.41
H-Bond Donors ≤ 53
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'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
CID 78800173
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N-[(Z)-(4-ethoxyphenyl)methylideneamino]-1H-indole-3-carboxamide
CID 5427308
N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 31977116
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N'-[2-(4-fluorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 26932809
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
N-[2-[2-(1H-indole-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-phenylacetamide
CID 27692653
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
2-[(4-chlorophenoxy)methyl]-N'-(1H-indole-3-carbonyl)-4-methyl-1,3-thiazole-5-carbohydrazide
CID 134061924
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
methyl 4-[(1H-indole-3-carbonylamino)carbamoyl]benzoate
CID 30455774

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide (CID 30455658) is N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide is CCOc1ccc(OCC(=O)NNC(=O)c2c[nH]c3ccccc23)cc1.
What is the InChIKey of N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide?
The InChIKey is GPVQEHBEUUCLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-2-25-13-7-9-14(10-8-13)26-12-18(23)21-22-19(24)16-11-20-17-6-4-3-5-15(16)17/h3-11,20H,2,12H2,1H3,(H,21,23)(H,22,24).
What are the key properties of N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide?
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide has a molecular weight of 353.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 30455658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).