N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide

C17H22N2O5 — CID 40588533

IUPACN'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)C1CCCCC1
InChIInChI=1S/C17H22N2O5/c1-22-12-9-8-11-13(14(12)23-2)17(21)24-16(11)19-18-15(20)10-6-4-3-5-7-10/h8-10,16,19H,3-7H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyFQOKFQMVVDEFIC-MRXNPFEDSA-N
MW334.37 g/mol
LogP2.07
Rot. Bonds5

About N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide

N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide (PubChem CID 40588533) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide.

Molecular Properties

Compound NameN'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide
PubChem CID40588533
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide
SMILESCOc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)C1CCCCC1
InChIInChI=1S/C17H22N2O5/c1-22-12-9-8-11-13(14(12)23-2)17(21)24-16(11)19-18-15(20)10-6-4-3-5-7-10/h8-10,16,19H,3-7H2,1-2H3,(H,18,20)/t16-/m1/s1
InChIKeyFQOKFQMVVDEFIC-MRXNPFEDSA-N
XLogP2.07
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclohexylamino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 4763394
N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)-2-methoxybenzohydrazide
CID 4763408
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-2-hydroxybenzohydrazide
CID 7657917
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide
CID 7657933
4-bromo-N'-(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)benzohydrazide
CID 4763419
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]pyridine-4-carbohydrazide
CID 950585
3-anilino-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 2849172
3-[[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]benzoic acid
CID 7657786
(3R)-6,7-dimethoxy-3-[2-(2-methylphenyl)hydrazinyl]-3H-2-benzofuran-1-one
CID 909136
(3R)-3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 949985
3-(2,6-dimethylanilino)-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3807565
cyclohexyl-(2,3-dimethoxyphenyl)methanone
CID 105076806

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide?
The IUPAC name of N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide (CID 40588533) is N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide.
What is the SMILES notation for N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide?
The canonical SMILES for N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide is COc1ccc2c(c1OC)C(=O)O[C@H]2NNC(=O)C1CCCCC1.
What is the InChIKey of N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide?
The InChIKey is FQOKFQMVVDEFIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-22-12-9-8-11-13(14(12)23-2)17(21)24-16(11)19-18-15(20)10-6-4-3-5-7-10/h8-10,16,19H,3-7H2,1-2H3,(H,18,20)/t16-/m1/s1.
What are the key properties of N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide?
N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide has a molecular weight of 334.37 g/mol, XLogP of 2.07, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide is sourced from PubChem (CID 40588533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).