N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide

C19H16N2O6 — CID 17479827

IUPACN'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOCc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C19H16N2O6/c1-24-9-13-12-4-2-3-5-14(12)27-17(13)19(23)21-20-18(22)11-6-7-15-16(8-11)26-10-25-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYOMLODSMWMZREM-UHFFFAOYSA-N
MW368.35 g/mol
LogP2.38
Rot. Bonds4

About N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide

N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide (PubChem CID 17479827) has the molecular formula C19H16N2O6 and a molecular weight of 368.35 g/mol. Its IUPAC name is N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide.

Molecular Properties

Compound NameN'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
PubChem CID17479827
Molecular FormulaC19H16N2O6
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC NameN'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
SMILESCOCc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2ccccc12
InChIInChI=1S/C19H16N2O6/c1-24-9-13-12-4-2-3-5-14(12)27-17(13)19(23)21-20-18(22)11-6-7-15-16(8-11)26-10-25-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23)
InChIKeyYOMLODSMWMZREM-UHFFFAOYSA-N
XLogP2.38
TPSA99.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 52.38
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

N-(1,3-benzodioxol-5-ylmethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 4789921
[2-(1,3-benzodioxol-5-ylamino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7551700
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-[3-(methoxymethyl)-1-benzofuran-2-yl]methanone
CID 2474519
ethyl 3-(1,3-benzodioxole-5-carbonylamino)-1-benzofuran-2-carboxylate
CID 3236920
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
3-(methoxymethyl)-N-[3-(methylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 18084321
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-1,3-benzodioxole-5-carboxamide
CID 20925850
N'-(1,3-benzodioxole-5-carbonyl)-2-oxochromene-3-carbohydrazide
CID 4686766
3-(methoxymethyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)-1-benzofuran-2-carboxamide
CID 51153429
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N'-(1,3-benzodioxole-5-carbonyl)-2,3-dihydro-1,4-benzodioxine-6-carbohydrazide
CID 9401431
N-[(2R)-2-(1-benzofuran-2-yl)-2-methoxyethyl]-1,3-benzodioxole-5-carboxamide
CID 124727869

Frequently Asked Questions

What is the IUPAC name of N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide?
The IUPAC name of N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide (CID 17479827) is N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide.
What is the SMILES notation for N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide?
The canonical SMILES for N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide is COCc1c(C(=O)NNC(=O)c2ccc3c(c2)OCO3)oc2ccccc12.
What is the InChIKey of N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide?
The InChIKey is YOMLODSMWMZREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6/c1-24-9-13-12-4-2-3-5-14(12)27-17(13)19(23)21-20-18(22)11-6-7-15-16(8-11)26-10-25-15/h2-8H,9-10H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide?
N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide has a molecular weight of 368.35 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide is sourced from PubChem (CID 17479827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).