3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

C20H20N2O5 — CID 51146445

IUPAC3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCOCc1c(C(=O)NNC(=O)COc2cccc(C)c2)oc2ccccc12
InChIInChI=1S/C20H20N2O5/c1-13-6-5-7-14(10-13)26-12-18(23)21-22-20(24)19-16(11-25-2)15-8-3-4-9-17(15)27-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHOZCIDKLMINMAO-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.73
Rot. Bonds6

About 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide

3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (PubChem CID 51146445) has the molecular formula C20H20N2O5 and a molecular weight of 368.39 g/mol. Its IUPAC name is 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound Name3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
PubChem CID51146445
Molecular FormulaC20H20N2O5
Molecular Weight368.39 g/mol
Exact Mass368.14
IUPAC Name3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
SMILESCOCc1c(C(=O)NNC(=O)COc2cccc(C)c2)oc2ccccc12
InChIInChI=1S/C20H20N2O5/c1-13-6-5-7-14(10-13)26-12-18(23)21-22-20(24)19-16(11-25-2)15-8-3-4-9-17(15)27-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyHOZCIDKLMINMAO-UHFFFAOYSA-N
XLogP2.73
TPSA89.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.73
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-(3-methylphenoxy)acetyl]-3-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1-benzofuran-2-carbohydrazide
CID 55363133
3-methyl-N'-[2-(3-methylphenoxy)acetyl]benzohydrazide
CID 732321
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
N-(2-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 7152285
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-(2,4-dimethoxyphenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 20875443
N-(3-fluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 6622692
N-(3,4-difluorophenyl)-3-[[2-(3-methylphenoxy)acetyl]amino]-1-benzofuran-2-carboxamide
CID 16817822
N-[3-[2-[2-(3-methyl-1-benzofuran-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55616552
N'-[3-(methoxymethyl)-1-benzofuran-2-carbonyl]-1,3-benzodioxole-5-carbohydrazide
CID 17479827

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The IUPAC name of 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide (CID 51146445) is 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The canonical SMILES for 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is COCc1c(C(=O)NNC(=O)COc2cccc(C)c2)oc2ccccc12.
What is the InChIKey of 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
The InChIKey is HOZCIDKLMINMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5/c1-13-6-5-7-14(10-13)26-12-18(23)21-22-20(24)19-16(11-25-2)15-8-3-4-9-17(15)27-19/h3-10H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide?
3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide has a molecular weight of 368.39 g/mol, XLogP of 2.73, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 51146445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).