N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide

C20H22N2O4 — CID 9076585

IUPACN-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)c1oc2c(ccc3ccccc32)c1C
InChIInChI=1S/C20H22N2O4/c1-13-15-9-8-14-6-4-5-7-16(14)19(15)26-18(13)20(24)22(2)12-17(23)21-10-11-25-3/h4-9H,10-12H2,1-3H3,(H,21,23)
InChIKeyNMBMVLHRPLWJAU-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.73
Rot. Bonds6

About N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide (PubChem CID 9076585) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide
PubChem CID9076585
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide
SMILESCOCCNC(=O)CN(C)C(=O)c1oc2c(ccc3ccccc32)c1C
InChIInChI=1S/C20H22N2O4/c1-13-15-9-8-14-6-4-5-7-16(14)19(15)26-18(13)20(24)22(2)12-17(23)21-10-11-25-3/h4-9H,10-12H2,1-3H3,(H,21,23)
InChIKeyNMBMVLHRPLWJAU-UHFFFAOYSA-N
XLogP2.73
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 9076484
3-hydroxy-N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,2-dimethylbenzamide
CID 82829175
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide
CID 119430725
3-methyl-N-(3-methylbutyl)benzo[g][1]benzofuran-2-carboxamide
CID 7926460
3-methyl-N-[3-(methylamino)propyl]benzo[g][1]benzofuran-2-carboxamide;hydrochloride
CID 119430724
N-[3-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 30831158
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-1H-indole-2-carboxamide
CID 60712381
N-(4-fluorophenyl)-3-methylbenzo[g][1]benzofuran-2-carboxamide
CID 7733139
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N-methyl-2-(methylamino)benzamide
CID 61377669
[(2R)-1-(2-methoxyethylamino)-1-oxopropan-2-yl] 7-fluoro-3-methyl-1-benzofuran-2-carboxylate
CID 8951005
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylquinoline-4-carboxamide
CID 51098155
1-[(4-fluorophenyl)methyl]-3-[(3-methylbenzo[g][1]benzofuran-2-carbonyl)amino]thiourea
CID 8942283

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide (CID 9076585) is N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide is COCCNC(=O)CN(C)C(=O)c1oc2c(ccc3ccccc32)c1C.
What is the InChIKey of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide?
The InChIKey is NMBMVLHRPLWJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13-15-9-8-14-6-4-5-7-16(14)19(15)26-18(13)20(24)22(2)12-17(23)21-10-11-25-3/h4-9H,10-12H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide?
N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethylamino)-2-oxoethyl]-N,3-dimethylbenzo[g][1]benzofuran-2-carboxamide is sourced from PubChem (CID 9076585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).