3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

C20H28N2O3 — CID 24790141

IUPAC3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCC(C)(C)N3CCOCC3)oc2c1C
InChIInChI=1S/C20H28N2O3/c1-13-6-7-16-15(3)18(25-17(16)14(13)2)19(23)21-12-20(4,5)22-8-10-24-11-9-22/h6-7H,8-12H2,1-5H3,(H,21,23)
InChIKeyQDKKXYHPQMAQQI-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.20
Rot. Bonds4

About 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide

3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (PubChem CID 24790141) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
PubChem CID24790141
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide
SMILESCc1ccc2c(C)c(C(=O)NCC(C)(C)N3CCOCC3)oc2c1C
InChIInChI=1S/C20H28N2O3/c1-13-6-7-16-15(3)18(25-17(16)14(13)2)19(23)21-12-20(4,5)22-8-10-24-11-9-22/h6-7H,8-12H2,1-5H3,(H,21,23)
InChIKeyQDKKXYHPQMAQQI-UHFFFAOYSA-N
XLogP3.20
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-2-(4-chlorophenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 34949347
N-[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 35540857
4-tert-butyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 51163379
1-hydroxy-N-(2-methyl-2-morpholin-4-ylpropyl)naphthalene-2-carboxamide
CID 47011963
2,5-dibromo-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 114371891
3,4-dimethyl-N-[2-[(2-methyl-2-morpholin-4-ylpropyl)amino]-2-oxoethyl]benzamide
CID 51163367
N-(2-methyl-2-morpholin-4-ylpropyl)-3-methylsulfonylbenzamide
CID 51163346
2-amino-5-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)benzamide
CID 62073465
N-cyclobutyl-3,6,7-trimethyl-1-benzofuran-2-carboxamide
CID 26394079
N-(2-methyl-2-morpholin-4-ylpropyl)-5-(methylsulfamoyl)furan-2-carboxamide
CID 55648055
N-[2-(azepan-1-yl)-2-thiophen-2-ylethyl]-3,6,7-trimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 52988461
4-(2,5-dimethylphenyl)-N-(2-methyl-2-morpholin-4-ylpropyl)-4-oxobutanamide
CID 51163396

Frequently Asked Questions

What is the IUPAC name of 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide (CID 24790141) is 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is Cc1ccc2c(C)c(C(=O)NCC(C)(C)N3CCOCC3)oc2c1C.
What is the InChIKey of 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
The InChIKey is QDKKXYHPQMAQQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-13-6-7-16-15(3)18(25-17(16)14(13)2)19(23)21-12-20(4,5)22-8-10-24-11-9-22/h6-7H,8-12H2,1-5H3,(H,21,23).
What are the key properties of 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide?
3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,7-trimethyl-N-(2-methyl-2-morpholin-4-ylpropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 24790141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).