N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

C21H22N2O4 — CID 18112860

IUPACN-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC(=O)Nc2cccc(C)c2C)oc2ccccc12
InChIInChI=1S/C21H22N2O4/c1-13-7-6-9-17(14(13)2)23-19(24)11-22-21(25)20-16(12-26-3)15-8-4-5-10-18(15)27-20/h4-10H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyURTUIFCVAJJBHZ-UHFFFAOYSA-N
MW366.42 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide

N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (PubChem CID 18112860) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
PubChem CID18112860
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC NameN-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
SMILESCOCc1c(C(=O)NCC(=O)Nc2cccc(C)c2C)oc2ccccc12
InChIInChI=1S/C21H22N2O4/c1-13-7-6-9-17(14(13)2)23-19(24)11-22-21(25)20-16(12-26-3)15-8-4-5-10-18(15)27-20/h4-10H,11-12H2,1-3H3,(H,22,25)(H,23,24)
InChIKeyURTUIFCVAJJBHZ-UHFFFAOYSA-N
XLogP3.56
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-benzamido-2-methylphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55899409
3-(methoxymethyl)-N-naphthalen-1-yl-1-benzofuran-2-carboxamide
CID 7734068
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 26904052
N-(2-methoxyethyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 9205135
3-(methoxymethyl)-N-[2-(2-methylanilino)-2-oxoethyl]-N-propyl-1-benzofuran-2-carboxamide
CID 31977010
3-(methoxymethyl)-N-[(2S)-2-phenylpropyl]-1-benzofuran-2-carboxamide
CID 9089939
N-(2-ethoxyphenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 7699468
N-[(4-fluorophenyl)methyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 2603906
N-tert-butyl-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 8779973
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-(4-anilinophenyl)-3-(methoxymethyl)-1-benzofuran-2-carboxamide
CID 55370282

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide (CID 18112860) is N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is COCc1c(C(=O)NCC(=O)Nc2cccc(C)c2C)oc2ccccc12.
What is the InChIKey of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
The InChIKey is URTUIFCVAJJBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-13-7-6-9-17(14(13)2)23-19(24)11-22-21(25)20-16(12-26-3)15-8-4-5-10-18(15)27-20/h4-10H,11-12H2,1-3H3,(H,22,25)(H,23,24).
What are the key properties of N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide?
N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide has a molecular weight of 366.42 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-(methoxymethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 18112860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).