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

C22H23N3O4 — CID 30689433

IUPACN'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1OC[C@@H]1CCCO1
InChIInChI=1S/C22H23N3O4/c26-21(12-15-13-23-19-9-3-1-7-17(15)19)24-25-22(27)18-8-2-4-10-20(18)29-14-16-6-5-11-28-16/h1-4,7-10,13,16,23H,5-6,11-12,14H2,(H,24,26)(H,25,27)/t16-/m0/s1
InChIKeyDBGNRANACCJPIS-INIZCTEOSA-N
MW393.44 g/mol
LogP2.73
Rot. Bonds6

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

N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide (PubChem CID 30689433) 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]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide.

Molecular Properties

Compound NameN'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
PubChem CID30689433
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide
SMILESO=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1OC[C@@H]1CCCO1
InChIInChI=1S/C22H23N3O4/c26-21(12-15-13-23-19-9-3-1-7-17(15)19)24-25-22(27)18-8-2-4-10-20(18)29-14-16-6-5-11-28-16/h1-4,7-10,13,16,23H,5-6,11-12,14H2,(H,24,26)(H,25,27)/t16-/m0/s1
InChIKeyDBGNRANACCJPIS-INIZCTEOSA-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'}

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Related Compounds

N'-[2-(1H-indol-3-yl)acetyl]-2-(oxolan-2-ylmethoxy)benzohydrazide
CID 43047999
N'-[2-(1H-indol-3-yl)acetyl]-4-(oxolan-2-ylmethoxy)benzohydrazide
CID 102603532
2-(1H-indol-3-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 30385068
2-(1H-indol-3-yl)-N-(oxan-2-ylmethyl)acetamide
CID 47406454
3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
CID 43048003
N'-[2-(1H-indol-3-yl)acetyl]-2-methylbenzohydrazide
CID 39972640
N'-[2-(1H-indol-3-yl)acetyl]-2-(phenoxymethyl)benzohydrazide
CID 24517687
1-(1H-indol-3-yl)-2-methyl-N-[2-[2-(oxolan-2-ylmethoxy)phenoxy]ethyl]propan-2-amine
CID 19919967
[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl] 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 8653138
2-(oxolan-2-ylmethoxy)-N-[(1-phenylcyclopropyl)methyl]benzamide
CID 46422005
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
2-anilino-N'-[2-(1H-indol-3-yl)acetyl]benzohydrazide
CID 31828855

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide?
The IUPAC name of N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide (CID 30689433) is N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide.
What is the SMILES notation for N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide?
The canonical SMILES for N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide is O=C(Cc1c[nH]c2ccccc12)NNC(=O)c1ccccc1OC[C@@H]1CCCO1.
What is the InChIKey of N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide?
The InChIKey is DBGNRANACCJPIS-INIZCTEOSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-21(12-15-13-23-19-9-3-1-7-17(15)19)24-25-22(27)18-8-2-4-10-20(18)29-14-16-6-5-11-28-16/h1-4,7-10,13,16,23H,5-6,11-12,14H2,(H,24,26)(H,25,27)/t16-/m0/s1.
What are the key properties of N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide?
N'-[2-(1H-indol-3-yl)acetyl]-2-[[(2S)-oxolan-2-yl]methoxy]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]-2-[[(2S)-oxolan-2-yl]methoxy]benzohydrazide is sourced from PubChem (CID 30689433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).