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

C21H23N3O4 — CID 78800173

IUPACN'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O4/c1-2-27-18-10-5-6-11-19(18)28-13-7-12-20(25)23-24-21(26)16-14-22-17-9-4-3-8-15(16)17/h3-6,8-11,14,22H,2,7,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyOLEAZGKGMXACJE-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.19
Rot. Bonds8

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

N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide (PubChem CID 78800173) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide.

Molecular Properties

Compound NameN'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
PubChem CID78800173
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide
SMILESCCOc1ccccc1OCCCC(=O)NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C21H23N3O4/c1-2-27-18-10-5-6-11-19(18)28-13-7-12-20(25)23-24-21(26)16-14-22-17-9-4-3-8-15(16)17/h3-6,8-11,14,22H,2,7,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyOLEAZGKGMXACJE-UHFFFAOYSA-N
XLogP3.19
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
N'-[2-(4-ethoxyphenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 30455658
N-[2-[2-[2-(2-ethoxyphenoxy)acetyl]hydrazinyl]-2-oxoethyl]-4-oxo-1H-quinoline-3-carboxamide
CID 55786955
N'-(4-oxo-4-phenylbutanoyl)-1H-indole-3-carbohydrazide
CID 27691367
4-oxo-N'-(3,4,5-triethoxybenzoyl)-1H-quinoline-3-carbohydrazide
CID 55602361
N'-[2-(2,4-difluorophenoxy)acetyl]-1H-indole-3-carbohydrazide
CID 31977116
N'-acetyl-1H-indole-3-carbohydrazide
CID 4271892
N-benzyl-4-(2-ethoxyphenoxy)butanamide
CID 78774394
N'-[4-(3,4-dichlorophenyl)butanoyl]-1H-indole-3-carbohydrazide
CID 55821579
4-(2-bromophenoxy)-N'-[2-(2-ethoxyphenoxy)acetyl]butanehydrazide
CID 55738830
4-(2-ethoxyphenoxy)-N-ethylbutanamide
CID 78781225
N'-(3,4,5-trimethoxybenzoyl)-1H-indole-3-carbohydrazide
CID 30455105

Frequently Asked Questions

What is the IUPAC name of N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide?
The IUPAC name of N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide (CID 78800173) is N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide.
What is the SMILES notation for N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide?
The canonical SMILES for N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide is CCOc1ccccc1OCCCC(=O)NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide?
The InChIKey is OLEAZGKGMXACJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-2-27-18-10-5-6-11-19(18)28-13-7-12-20(25)23-24-21(26)16-14-22-17-9-4-3-8-15(16)17/h3-6,8-11,14,22H,2,7,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide?
N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide has a molecular weight of 381.43 g/mol, XLogP of 3.19, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(2-ethoxyphenoxy)butanoyl]-1H-indole-3-carbohydrazide is sourced from PubChem (CID 78800173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).