3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide

C23H26N2O4 — CID 31977010

IUPAC3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccccc2c1COC
InChIInChI=1S/C23H26N2O4/c1-4-13-25(14-21(26)24-19-11-7-5-9-16(19)2)23(27)22-18(15-28-3)17-10-6-8-12-20(17)29-22/h5-12H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyIOLMANGANWRLTF-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.38
Rot. Bonds8

About 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide

3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide (PubChem CID 31977010) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
PubChem CID31977010
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Name3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
SMILESCCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccccc2c1COC
InChIInChI=1S/C23H26N2O4/c1-4-13-25(14-21(26)24-19-11-7-5-9-16(19)2)23(27)22-18(15-28-3)17-10-6-8-12-20(17)29-22/h5-12H,4,13-15H2,1-3H3,(H,24,26)
InChIKeyIOLMANGANWRLTF-UHFFFAOYSA-N
XLogP4.38
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethoxy-3-methyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 24980019
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 18112860
3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 26730475
2-ethyl-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbutanamide
CID 112790013
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
3-(methoxymethyl)-N-(2-propoxyphenyl)-1-benzofuran-2-carboxamide
CID 30728400
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate
CID 7550851
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(methoxymethyl)-N-propyl-1-benzofuran-2-carboxamide
CID 52892962
3,5-dichloro-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylbenzamide
CID 38684187
2-(2-methoxyethylamino)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide
CID 119682407
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
2-amino-N-[2-(2-methylanilino)-2-oxoethyl]-N-propylacetamide;hydrochloride
CID 119267479

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The IUPAC name of 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide (CID 31977010) is 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide is CCCN(CC(=O)Nc1ccccc1C)C(=O)c1oc2ccccc2c1COC.
What is the InChIKey of 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
The InChIKey is IOLMANGANWRLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-4-13-25(14-21(26)24-19-11-7-5-9-16(19)2)23(27)22-18(15-28-3)17-10-6-8-12-20(17)29-22/h5-12H,4,13-15H2,1-3H3,(H,24,26).
What are the key properties of 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide?
3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide has a molecular weight of 394.47 g/mol, XLogP of 4.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 31977010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).