4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

C21H24N2O3 — CID 27886527

About 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide

4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (PubChem CID 27886527) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

Molecular Properties

• Compound Name: 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
• PubChem CID: 27886527
• Molecular Formula: C21H24N2O3
• Molecular Weight: 352.43 g/mol
• Exact Mass: 352.18
• IUPAC Name: 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
• SMILES: C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc2c(c1)CCCC2
• InChI: InChI=1S/C21H24N2O3/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)23-21(25)16-8-10-19(11-9-16)26-13-20(22)24/h6-12,14H,2-5,13H2,1H3,(H2,22,24)(H,23,25)/t14-/m1/s1
• InChIKey: MVXUMMSHAVZYJK-CQSZACIVSA-N
• XLogP: 2.92
• TPSA: 81.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.43
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

The IUPAC name of 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide (CID 27886527) is 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide.

What is the SMILES notation for 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

The canonical SMILES for 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is C[C@@H](NC(=O)c1ccc(OCC(N)=O)cc1)c1ccc2c(c1)CCCC2.

What is the InChIKey of 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

The InChIKey is MVXUMMSHAVZYJK-CQSZACIVSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-14(17-7-6-15-4-2-3-5-18(15)12-17)23-21(25)16-8-10-19(11-9-16)26-13-20(22)24/h6-12,14H,2-5,13H2,1H3,(H2,22,24)(H,23,25)/t14-/m1/s1.

What are the key properties of 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide?

4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide has a molecular weight of 352.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-amino-2-oxoethoxy)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide is sourced from PubChem (CID 27886527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).