3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

C23H26N2O6 — CID 50759321

IUPAC3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCOCC(=O)Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12
InChIInChI=1S/C23H26N2O6/c1-2-28-15-20(26)24-21-18-9-3-4-10-19(18)31-22(21)23(27)25(13-16-7-5-11-29-16)14-17-8-6-12-30-17/h3-5,7,9-11,17H,2,6,8,12-15H2,1H3,(H,24,26)
InChIKeyUPPMKTLKBXQQAY-UHFFFAOYSA-N
MW426.47 g/mol
LogP3.82
Rot. Bonds9

About 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide

3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 50759321) has the molecular formula C23H26N2O6 and a molecular weight of 426.47 g/mol. Its IUPAC name is 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID50759321
Molecular FormulaC23H26N2O6
Molecular Weight426.47 g/mol
Exact Mass426.18
IUPAC Name3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESCCOCC(=O)Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12
InChIInChI=1S/C23H26N2O6/c1-2-28-15-20(26)24-21-18-9-3-4-10-19(18)31-22(21)23(27)25(13-16-7-5-11-29-16)14-17-8-6-12-30-17/h3-5,7,9-11,17H,2,6,8,12-15H2,1H3,(H,24,26)
InChIKeyUPPMKTLKBXQQAY-UHFFFAOYSA-N
XLogP3.82
TPSA94.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.47
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 46281645
3-[(4-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 50759331
3-[(2-fluorobenzoyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 92745650
N-(furan-2-ylmethyl)-2-[furan-2-ylmethyl(oxolan-2-ylmethyl)amino]acetamide
CID 47537569
3-acetamido-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)benzamide
CID 86840469
2-ethoxy-N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925927
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]cyclopropanecarboxamide
CID 772640
2-[cyclopropyl-(2-methoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 7282936
N-(furan-2-ylmethyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236890
1-(furan-2-ylmethyl)-3-(2-methoxyphenyl)-1-[[(2S)-oxolan-2-yl]methyl]urea
CID 773145
N-(furan-2-ylmethyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 97236889
6-bromo-N-(furan-2-ylmethyl)-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 35541273

Frequently Asked Questions

What is the IUPAC name of 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 50759321) is 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is CCOCC(=O)Nc1c(C(=O)N(Cc2ccco2)CC2CCCO2)oc2ccccc12.
What is the InChIKey of 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is UPPMKTLKBXQQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O6/c1-2-28-15-20(26)24-21-18-9-3-4-10-19(18)31-22(21)23(27)25(13-16-7-5-11-29-16)14-17-8-6-12-30-17/h3-5,7,9-11,17H,2,6,8,12-15H2,1H3,(H,24,26).
What are the key properties of 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide?
3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 426.47 g/mol, XLogP of 3.82, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-ethoxyacetyl)amino]-N-(furan-2-ylmethyl)-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 50759321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).