3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide

C22H22N2O5 — CID 43048003

IUPAC3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2OCC2CCCO2)oc2ccccc12
InChIInChI=1S/C22H22N2O5/c1-14-16-8-2-5-11-19(16)29-20(14)22(26)24-23-21(25)17-9-3-4-10-18(17)28-13-15-7-6-12-27-15/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyOXWCOKXWQBVDHH-UHFFFAOYSA-N
MW394.43 g/mol
LogP3.37
Rot. Bonds5

About 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide

3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide (PubChem CID 43048003) has the molecular formula C22H22N2O5 and a molecular weight of 394.43 g/mol. Its IUPAC name is 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
PubChem CID43048003
Molecular FormulaC22H22N2O5
Molecular Weight394.43 g/mol
Exact Mass394.15
IUPAC Name3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide
SMILESCc1c(C(=O)NNC(=O)c2ccccc2OCC2CCCO2)oc2ccccc12
InChIInChI=1S/C22H22N2O5/c1-14-16-8-2-5-11-19(16)29-20(14)22(26)24-23-21(25)17-9-3-4-10-18(17)28-13-15-7-6-12-27-15/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,25)(H,24,26)
InChIKeyOXWCOKXWQBVDHH-UHFFFAOYSA-N
XLogP3.37
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 53.37
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

3-methyl-N'-(oxolane-2-carbonyl)-1-benzofuran-2-carbohydrazide
CID 24644300
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
2-(oxolan-2-ylmethoxy)-N-prop-2-ynylbenzamide
CID 43047937
N'-(2,3-dimethoxybenzoyl)-3-methyl-1-benzofuran-2-carbohydrazide
CID 27685449
2-(oxolan-2-ylmethoxy)benzamide
CID 24633130
N-(3-hydroxypropyl)-2-(oxolan-2-ylmethoxy)benzamide
CID 78854576
2-methyl-5-[[[2-[[(2R)-oxolan-2-yl]methoxy]benzoyl]amino]methyl]furan-3-carboxylic acid
CID 125150340
2-methoxy-N-[2-[[(2S)-oxolan-2-yl]methoxy]phenyl]benzamide
CID 41386282
N-[4-(2-methylpropanoylamino)phenyl]-2-(oxolan-2-ylmethoxy)benzamide
CID 42923990
methyl (E)-4-[[2-(oxolan-2-ylmethoxy)benzoyl]amino]but-2-enoate
CID 146076875
(2R)-4-methyl-2-[[2-[[(2S)-oxolan-2-yl]methoxy]benzoyl]amino]pentanoic acid
CID 125152132

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide (CID 43048003) is 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide is Cc1c(C(=O)NNC(=O)c2ccccc2OCC2CCCO2)oc2ccccc12.
What is the InChIKey of 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is OXWCOKXWQBVDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O5/c1-14-16-8-2-5-11-19(16)29-20(14)22(26)24-23-21(25)17-9-3-4-10-18(17)28-13-15-7-6-12-27-15/h2-5,8-11,15H,6-7,12-13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide?
3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 394.43 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N'-[2-(oxolan-2-ylmethoxy)benzoyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 43048003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).