N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide

C20H22N2O3 — CID 9092757

IUPACN'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide
SMILESCCN(NC(=O)c1oc2ccccc2c1COC)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-4-22(15-11-9-14(2)10-12-15)21-20(23)19-17(13-24-3)16-7-5-6-8-18(16)25-19/h5-12H,4,13H2,1-3H3,(H,21,23)
InChIKeyLEPGRPCSDKOLDP-UHFFFAOYSA-N
MW338.41 g/mol
LogP4.06
Rot. Bonds6

About N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide

N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide (PubChem CID 9092757) has the molecular formula C20H22N2O3 and a molecular weight of 338.41 g/mol. Its IUPAC name is N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide.

Molecular Properties

Compound NameN'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide
PubChem CID9092757
Molecular FormulaC20H22N2O3
Molecular Weight338.41 g/mol
Exact Mass338.16
IUPAC NameN'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide
SMILESCCN(NC(=O)c1oc2ccccc2c1COC)c1ccc(C)cc1
InChIInChI=1S/C20H22N2O3/c1-4-22(15-11-9-14(2)10-12-15)21-20(23)19-17(13-24-3)16-7-5-6-8-18(16)25-19/h5-12H,4,13H2,1-3H3,(H,21,23)
InChIKeyLEPGRPCSDKOLDP-UHFFFAOYSA-N
XLogP4.06
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-[2-(dimethylamino)-2-phenylethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 51153654
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
2-(4-methylphenoxy)ethyl 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550802
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8531478
3-(methoxymethyl)-N'-[2-(3-methylphenoxy)acetyl]-1-benzofuran-2-carbohydrazide
CID 51146445

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide?
The IUPAC name of N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide (CID 9092757) is N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide.
What is the SMILES notation for N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide?
The canonical SMILES for N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide is CCN(NC(=O)c1oc2ccccc2c1COC)c1ccc(C)cc1.
What is the InChIKey of N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide?
The InChIKey is LEPGRPCSDKOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3/c1-4-22(15-11-9-14(2)10-12-15)21-20(23)19-17(13-24-3)16-7-5-6-8-18(16)25-19/h5-12H,4,13H2,1-3H3,(H,21,23).
What are the key properties of N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide?
N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide has a molecular weight of 338.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-3-(methoxymethyl)-N'-(4-methylphenyl)-1-benzofuran-2-carbohydrazide is sourced from PubChem (CID 9092757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).