N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide

C22H26FN3O2 — CID 9348216

About N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide

N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9348216) has the molecular formula C22H26FN3O2 and a molecular weight of 383.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
• PubChem CID: 9348216
• Molecular Formula: C22H26FN3O2
• Molecular Weight: 383.47 g/mol
• Exact Mass: 383.20
• IUPAC Name: N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
• SMILES: CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N(C)[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C22H26FN3O2/c1-25(14-21(27)24-18-12-10-17(23)11-13-18)15-22(28)26(2)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,5,7,9,14-15H2,1-2H3,(H,24,27)/t20-/m0/s1
• InChIKey: ZXRMKQMCYUFRJF-FQEVSTJZSA-N
• XLogP: 3.23
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.47
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

The IUPAC name of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide (CID 9348216) is N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide.

What is the SMILES notation for N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

The canonical SMILES for N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide is CN(CC(=O)Nc1ccc(F)cc1)CC(=O)N(C)[C@H]1CCCc2ccccc21.

What is the InChIKey of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

The InChIKey is ZXRMKQMCYUFRJF-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26FN3O2/c1-25(14-21(27)24-18-12-10-17(23)11-13-18)15-22(28)26(2)20-9-5-7-16-6-3-4-8-19(16)20/h3-4,6,8,10-13,20H,5,7,9,14-15H2,1-2H3,(H,24,27)/t20-/m0/s1.

What are the key properties of N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 383.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-fluorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9348216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).