N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide

C22H23N3O4 — CID 102603532

IUPACN'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H23N3O4/c26-21(12-16-13-23-20-6-2-1-5-19(16)20)24-25-22(27)15-7-9-17(10-8-15)29-14-18-4-3-11-28-18/h1-2,5-10,13,18,23H,3-4,11-12,14H2,(H,24,26)(H,25,27)
InChIKeyMLCSKKIJADZPAL-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds6

About N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide

N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide (PubChem CID 102603532) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
PubChem CID102603532
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C22H23N3O4/c26-21(12-16-13-23-20-6-2-1-5-19(16)20)24-25-22(27)15-7-9-17(10-8-15)29-14-18-4-3-11-28-18/h1-2,5-10,13,18,23H,3-4,11-12,14H2,(H,24,26)(H,25,27)
InChIKeyMLCSKKIJADZPAL-UHFFFAOYSA-N
XLogP2.73
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-2-(oxolan-2-ylmethoxy)benzohydrazide
CID 43047999
N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
CID 30689433
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653138
N'-[2-(4-methoxyphenyl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222482
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-hydroxy-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 43016979
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-1H-pyrrole-2-carbohydrazide
CID 78814237
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
N'-(2-naphthalen-2-yloxyacetyl)-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 17222481
2-chloro-N'-[4-(oxolan-2-ylmethoxy)benzoyl]benzohydrazide
CID 17222475

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide (CID 102603532) is N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
The InChIKey is MLCSKKIJADZPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(12-16-13-23-20-6-2-1-5-19(16)20)24-25-22(27)15-7-9-17(10-8-15)29-14-18-4-3-11-28-18/h1-2,5-10,13,18,23H,3-4,11-12,14H2,(H,24,26)(H,25,27).
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide has a molecular weight of 393.44 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide is sourced from PubChem (CID 102603532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).