3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide

C22H24N2O5 — CID 18270509

IUPAC3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2coc3cc(C)ccc23)ccc1OC(C)C
InChIInChI=1S/C22H24N2O5/c1-13(2)29-18-8-6-15(10-20(18)27-4)22(26)24-23-21(25)11-16-12-28-19-9-14(3)5-7-17(16)19/h5-10,12-13H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyRWBCMXCCBCLWQE-UHFFFAOYSA-N
MW396.44 g/mol
LogP3.54
Rot. Bonds6

About 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide

3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide (PubChem CID 18270509) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide.

Molecular Properties

Compound Name3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
PubChem CID18270509
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC Name3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
SMILESCOc1cc(C(=O)NNC(=O)Cc2coc3cc(C)ccc23)ccc1OC(C)C
InChIInChI=1S/C22H24N2O5/c1-13(2)29-18-8-6-15(10-20(18)27-4)22(26)24-23-21(25)11-16-12-28-19-9-14(3)5-7-17(16)19/h5-10,12-13H,11H2,1-4H3,(H,23,25)(H,24,26)
InChIKeyRWBCMXCCBCLWQE-UHFFFAOYSA-N
XLogP3.54
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 53.54
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

N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 35934971
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
N'-[2-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917
3-methoxy-N'-[2-(2-methoxyphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 4798027
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
3-methoxy-N'-[2-(4-methylanilino)acetyl]-4-propan-2-yloxybenzohydrazide
CID 55348617
3-methoxy-N'-(3-methylbenzoyl)-4-propan-2-yloxybenzohydrazide
CID 26655769
N'-acetyl-3-methoxy-4-propan-2-yloxybenzohydrazide
CID 46656614
3-methoxy-N'-[2-(2-nitrophenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 7972085
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
CID 35428235

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
The IUPAC name of 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide (CID 18270509) is 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide.
What is the SMILES notation for 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
The canonical SMILES for 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide is COc1cc(C(=O)NNC(=O)Cc2coc3cc(C)ccc23)ccc1OC(C)C.
What is the InChIKey of 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
The InChIKey is RWBCMXCCBCLWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-13(2)29-18-8-6-15(10-20(18)27-4)22(26)24-23-21(25)11-16-12-28-19-9-14(3)5-7-17(16)19/h5-10,12-13H,11H2,1-4H3,(H,23,25)(H,24,26).
What are the key properties of 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide?
3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide has a molecular weight of 396.44 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide is sourced from PubChem (CID 18270509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).