N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

C19H28N2O3 — CID 2412037

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCC(C)(C)CN(C)C)c(C)c2c1
InChIInChI=1S/C19H28N2O3/c1-7-23-14-8-9-16-15(10-14)13(2)17(24-16)18(22)20-11-19(3,4)12-21(5)6/h8-10H,7,11-12H2,1-6H3,(H,20,22)
InChIKeyQNHHIAFTYJDAIQ-UHFFFAOYSA-N
MW332.44 g/mol
LogP3.46
Rot. Bonds7

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (PubChem CID 2412037) has the molecular formula C19H28N2O3 and a molecular weight of 332.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
PubChem CID2412037
Molecular FormulaC19H28N2O3
Molecular Weight332.44 g/mol
Exact Mass332.21
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
SMILESCCOc1ccc2oc(C(=O)NCC(C)(C)CN(C)C)c(C)c2c1
InChIInChI=1S/C19H28N2O3/c1-7-23-14-8-9-16-15(10-14)13(2)17(24-16)18(22)20-11-19(3,4)12-21(5)6/h8-10H,7,11-12H2,1-6H3,(H,20,22)
InChIKeyQNHHIAFTYJDAIQ-UHFFFAOYSA-N
XLogP3.46
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 9073189
N-(4-acetamidophenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8701405
5-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methyl-1-benzofuran-2-carboxamide
CID 9080704
N-(2-chloro-4-methylphenyl)-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8885848
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide
CID 26006243
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 2640021
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150
N-(2,5-diethoxyphenyl)-5-methoxy-3-methyl-1-benzofuran-2-carboxamide
CID 8909222
5-ethoxy-N-(3-fluorophenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 9072285
5-ethoxy-3-methyl-N-[1-(4-methylphenyl)propyl]-1-benzofuran-2-carboxamide
CID 42907524
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate
CID 8736698
5-ethoxy-3-methyl-N-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]-1-benzofuran-2-carboxamide
CID 24616930

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide (CID 2412037) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is CCOc1ccc2oc(C(=O)NCC(C)(C)CN(C)C)c(C)c2c1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
The InChIKey is QNHHIAFTYJDAIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3/c1-7-23-14-8-9-16-15(10-14)13(2)17(24-16)18(22)20-11-19(3,4)12-21(5)6/h8-10H,7,11-12H2,1-6H3,(H,20,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide has a molecular weight of 332.44 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-5-ethoxy-3-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 2412037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).