2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

C24H25N3O3 — CID 42359609

IUPAC2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccc4nc(C)ccc4c3)c2O1
InChIInChI=1S/C24H25N3O3/c1-14-8-19-11-20(12-26-23(29)13-25-16(3)28)30-24(19)21(9-14)17-6-7-22-18(10-17)5-4-15(2)27-22/h4-10,20H,11-13H2,1-3H3,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeySLQIHQJSGQFIOX-HXUWFJFHSA-N
MW403.48 g/mol
LogP3.07
Rot. Bonds5

About 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide

2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (PubChem CID 42359609) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
PubChem CID42359609
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide
SMILESCC(=O)NCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccc4nc(C)ccc4c3)c2O1
InChIInChI=1S/C24H25N3O3/c1-14-8-19-11-20(12-26-23(29)13-25-16(3)28)30-24(19)21(9-14)17-6-7-22-18(10-17)5-4-15(2)27-22/h4-10,20H,11-13H2,1-3H3,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKeySLQIHQJSGQFIOX-HXUWFJFHSA-N
XLogP3.07
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The IUPAC name of 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide (CID 42359609) is 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide.
What is the SMILES notation for 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The canonical SMILES for 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is CC(=O)NCC(=O)NC[C@H]1Cc2cc(C)cc(-c3ccc4nc(C)ccc4c3)c2O1.
What is the InChIKey of 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
The InChIKey is SLQIHQJSGQFIOX-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-14-8-19-11-20(12-26-23(29)13-25-16(3)28)30-24(19)21(9-14)17-6-7-22-18(10-17)5-4-15(2)27-22/h4-10,20H,11-13H2,1-3H3,(H,25,28)(H,26,29)/t20-/m1/s1.
What are the key properties of 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide?
2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-acetamido-N-[[(2R)-5-methyl-7-(2-methylquinolin-6-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]acetamide is sourced from PubChem (CID 42359609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).