2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide

C21H27N3O3 — CID 97261053

About 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide

2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide (PubChem CID 97261053) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide.

Molecular Properties

• Compound Name: 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
• PubChem CID: 97261053
• Molecular Formula: C21H27N3O3
• Molecular Weight: 369.47 g/mol
• Exact Mass: 369.21
• IUPAC Name: 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide
• SMILES: COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3CC(N)=O)ccc2c1
• InChI: InChI=1S/C21H27N3O3/c1-23(21(26)14-24-9-3-4-18(24)12-20(22)25)13-15-5-6-17-11-19(27-2)8-7-16(17)10-15/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H2,22,25)/t18-/m1/s1
• InChIKey: YEFUGSDBGWDBSM-GOSISDBHSA-N
• XLogP: 2.15
• TPSA: 75.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.47
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?

The IUPAC name of 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide (CID 97261053) is 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide.

What is the SMILES notation for 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?

The canonical SMILES for 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide is COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3CC(N)=O)ccc2c1.

What is the InChIKey of 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?

The InChIKey is YEFUGSDBGWDBSM-GOSISDBHSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-23(21(26)14-24-9-3-4-18(24)12-20(22)25)13-15-5-6-17-11-19(27-2)8-7-16(17)10-15/h5-8,10-11,18H,3-4,9,12-14H2,1-2H3,(H2,22,25)/t18-/m1/s1.

What are the key properties of 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide?

2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide has a molecular weight of 369.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R)-1-[2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-2-oxoethyl]pyrrolidin-2-yl]acetamide is sourced from PubChem (CID 97261053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).