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

C18H18N2O6 — CID 7657933

IUPACN'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NN[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1
InChIInChI=1S/C18H18N2O6/c1-23-11-6-4-10(5-7-11)16(21)19-20-17-12-8-9-13(24-2)15(25-3)14(12)18(22)26-17/h4-9,17,20H,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyRDZWBLWLUREQTC-KRWDZBQOSA-N
MW358.35 g/mol
LogP1.82
Rot. Bonds6

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

N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide (PubChem CID 7657933) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide.

Molecular Properties

Compound NameN'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide
PubChem CID7657933
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC NameN'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide
SMILESCOc1ccc(C(=O)NN[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1
InChIInChI=1S/C18H18N2O6/c1-23-11-6-4-10(5-7-11)16(21)19-20-17-12-8-9-13(24-2)15(25-3)14(12)18(22)26-17/h4-9,17,20H,1-3H3,(H,19,21)/t17-/m0/s1
InChIKeyRDZWBLWLUREQTC-KRWDZBQOSA-N
XLogP1.82
TPSA95.12 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
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
1-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-3-(4-methoxyphenyl)urea
CID 6574304
N'-[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]cyclohexanecarbohydrazide
CID 40588533
(3R)-6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethylamino]-3H-2-benzofuran-1-one
CID 7657836
(3S)-6,7-dimethoxy-3-[2-(4-methoxyphenyl)ethylamino]-3H-2-benzofuran-1-one
CID 7657834
4-[(4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl)amino]benzamide
CID 42649057
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
3-[[(1R)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]amino]-N-(4-methoxyphenyl)pyrazine-2-carboxamide
CID 25427180

Frequently Asked Questions

What is the IUPAC name of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide?
The IUPAC name of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide (CID 7657933) is N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide.
What is the SMILES notation for N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide?
The canonical SMILES for N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide is COc1ccc(C(=O)NN[C@H]2OC(=O)c3c2ccc(OC)c3OC)cc1.
What is the InChIKey of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide?
The InChIKey is RDZWBLWLUREQTC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-23-11-6-4-10(5-7-11)16(21)19-20-17-12-8-9-13(24-2)15(25-3)14(12)18(22)26-17/h4-9,17,20H,1-3H3,(H,19,21)/t17-/m0/s1.
What are the key properties of N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide?
N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide has a molecular weight of 358.35 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1S)-4,5-dimethoxy-3-oxo-1H-2-benzofuran-1-yl]-4-methoxybenzohydrazide is sourced from PubChem (CID 7657933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).