3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

C26H31NO6 — CID 29349444

IUPAC3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN(C[C@H]2CCCO2)C(=O)c2oc3cc(C)ccc3c2C)cc(OC)c1OC
InChIInChI=1S/C26H31NO6/c1-16-8-9-20-17(2)24(33-21(20)11-16)26(28)27(15-19-7-6-10-32-19)14-18-12-22(29-3)25(31-5)23(13-18)30-4/h8-9,11-13,19H,6-7,10,14-15H2,1-5H3/t19-/m1/s1
InChIKeyOWFSFLNSHCNYJI-LJQANCHMSA-N
MW453.54 g/mol
LogP4.90
Rot. Bonds8

About 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide

3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (PubChem CID 29349444) has the molecular formula C26H31NO6 and a molecular weight of 453.54 g/mol. Its IUPAC name is 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
PubChem CID29349444
Molecular FormulaC26H31NO6
Molecular Weight453.54 g/mol
Exact Mass453.22
IUPAC Name3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide
SMILESCOc1cc(CN(C[C@H]2CCCO2)C(=O)c2oc3cc(C)ccc3c2C)cc(OC)c1OC
InChIInChI=1S/C26H31NO6/c1-16-8-9-20-17(2)24(33-21(20)11-16)26(28)27(15-19-7-6-10-32-19)14-18-12-22(29-3)25(31-5)23(13-18)30-4/h8-9,11-13,19H,6-7,10,14-15H2,1-5H3/t19-/m1/s1
InChIKeyOWFSFLNSHCNYJI-LJQANCHMSA-N
XLogP4.90
TPSA70.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(4-fluorophenyl)methyl]-3,5,6-trimethyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120160
5-chloro-N-[[4-(dimethylamino)phenyl]methyl]-3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 40776188
6-bromo-N-[(2-fluorophenyl)methyl]-3-methyl-N-(oxolan-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 19120202
5-(4-chlorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42280222
2-(4-bromophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 40851324
N-[(4-fluorophenyl)methyl]-1-(oxolan-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]methanamine
CID 43818512
N-[(4-chlorophenyl)methyl]-6,7-dimethyl-4-oxo-N-[[(2R)-oxolan-2-yl]methyl]chromene-2-carboxamide
CID 40871229
5-fluoro-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 55391194
3-methyl-N-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 135715107
N-(oxolan-2-ylmethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 18168436
N-ethyl-2-(7-methyl-2-oxochromen-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95188615
3,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-1-benzofuran-2-carboxamide
CID 42107595

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide (CID 29349444) is 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is COc1cc(CN(C[C@H]2CCCO2)C(=O)c2oc3cc(C)ccc3c2C)cc(OC)c1OC.
What is the InChIKey of 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
The InChIKey is OWFSFLNSHCNYJI-LJQANCHMSA-N. The full InChI is InChI=1S/C26H31NO6/c1-16-8-9-20-17(2)24(33-21(20)11-16)26(28)27(15-19-7-6-10-32-19)14-18-12-22(29-3)25(31-5)23(13-18)30-4/h8-9,11-13,19H,6-7,10,14-15H2,1-5H3/t19-/m1/s1.
What are the key properties of 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide?
3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 4.90, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]-N-[(3,4,5-trimethoxyphenyl)methyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 29349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).