N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide

C21H22N2O5 — CID 35934971

IUPACN'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2coc3cc(C)c(C)cc23)cc1OC
InChIInChI=1S/C21H22N2O5/c1-12-7-16-15(11-28-18(16)8-13(12)2)10-20(24)22-23-21(25)14-5-6-17(26-3)19(9-14)27-4/h5-9,11H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRPPKVTPEAMVYRN-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.07
Rot. Bonds5

About N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide

N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide (PubChem CID 35934971) has the molecular formula C21H22N2O5 and a molecular weight of 382.42 g/mol. Its IUPAC name is N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide.

Molecular Properties

Compound NameN'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
PubChem CID35934971
Molecular FormulaC21H22N2O5
Molecular Weight382.42 g/mol
Exact Mass382.15
IUPAC NameN'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
SMILESCOc1ccc(C(=O)NNC(=O)Cc2coc3cc(C)c(C)cc23)cc1OC
InChIInChI=1S/C21H22N2O5/c1-12-7-16-15(11-28-18(16)8-13(12)2)10-20(24)22-23-21(25)14-5-6-17(26-3)19(9-14)27-4/h5-9,11H,10H2,1-4H3,(H,22,24)(H,23,25)
InChIKeyRPPKVTPEAMVYRN-UHFFFAOYSA-N
XLogP3.07
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.07
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-(6-ethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide
CID 18164667
3-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 18270509
N'-[2-(6,7-dihydro-5H-cyclopenta[f][1]benzofuran-3-yl)acetyl]-3-methoxy-4-propoxybenzohydrazide
CID 35428235
3,4-dimethoxy-N'-[2-(2-methoxyphenyl)acetyl]benzohydrazide
CID 24645288
N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]-4-methylbenzohydrazide
CID 2492500
4-methoxy-N'-[2-(6-methyl-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 18872308
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-[2-(2-methoxy-5-methylanilino)-2-oxoethyl]acetamide
CID 46636527
3,4-dimethoxy-N'-propanoylbenzohydrazide
CID 785401
2-(5,6-dimethyl-1-benzofuran-3-yl)-N-(2-methoxyphenyl)acetamide
CID 17404145
4-hydroxy-N'-[2-(6-methoxy-1-benzofuran-3-yl)acetyl]benzohydrazide
CID 8895546
4-ethoxy-3-methoxy-N'-[2-(2-methylphenyl)acetyl]benzohydrazide
CID 30860668
3-methoxy-N'-[2-(2-methylphenyl)acetyl]-4-propan-2-yloxybenzohydrazide
CID 8621917

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
The IUPAC name of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide (CID 35934971) is N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide.
What is the SMILES notation for N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
The canonical SMILES for N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide is COc1ccc(C(=O)NNC(=O)Cc2coc3cc(C)c(C)cc23)cc1OC.
What is the InChIKey of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
The InChIKey is RPPKVTPEAMVYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O5/c1-12-7-16-15(11-28-18(16)8-13(12)2)10-20(24)22-23-21(25)14-5-6-17(26-3)19(9-14)27-4/h5-9,11H,10H2,1-4H3,(H,22,24)(H,23,25).
What are the key properties of N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide?
N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide has a molecular weight of 382.42 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5,6-dimethyl-1-benzofuran-3-yl)acetyl]-3,4-dimethoxybenzohydrazide is sourced from PubChem (CID 35934971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).