ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate

C17H27N3O4 — CID 95289325

About ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate

ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate (PubChem CID 95289325) has the molecular formula C17H27N3O4 and a molecular weight of 337.42 g/mol. Its IUPAC name is ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate.

Molecular Properties

• Compound Name: ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate
• PubChem CID: 95289325
• Molecular Formula: C17H27N3O4
• Molecular Weight: 337.42 g/mol
• Exact Mass: 337.20
• IUPAC Name: ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate
• SMILES: CCOC(=O)N(C)CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1
• InChI: InChI=1S/C17H27N3O4/c1-4-23-17(22)19(3)12-16(21)18-11-14(20-9-5-6-10-20)15-8-7-13(2)24-15/h7-8,14H,4-6,9-12H2,1-3H3,(H,18,21)/t14-/m1/s1
• InChIKey: BUVJKRFPOJABNL-CQSZACIVSA-N
• XLogP: 1.93
• TPSA: 75.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.42
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate?

The IUPAC name of ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate (CID 95289325) is ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate.

What is the SMILES notation for ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate?

The canonical SMILES for ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate is CCOC(=O)N(C)CC(=O)NC[C@H](c1ccc(C)o1)N1CCCC1.

What is the InChIKey of ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate?

The InChIKey is BUVJKRFPOJABNL-CQSZACIVSA-N. The full InChI is InChI=1S/C17H27N3O4/c1-4-23-17(22)19(3)12-16(21)18-11-14(20-9-5-6-10-20)15-8-7-13(2)24-15/h7-8,14H,4-6,9-12H2,1-3H3,(H,18,21)/t14-/m1/s1.

What are the key properties of ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate?

ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate has a molecular weight of 337.42 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl N-methyl-N-[2-[[(2R)-2-(5-methylfuran-2-yl)-2-pyrrolidin-1-ylethyl]amino]-2-oxoethyl]carbamate is sourced from PubChem (CID 95289325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).