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

C22H26ClN3O2 — CID 9348624

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

N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9348624) has the molecular formula C22H26ClN3O2 and a molecular weight of 399.92 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
• PubChem CID: 9348624
• Molecular Formula: C22H26ClN3O2
• Molecular Weight: 399.92 g/mol
• Exact Mass: 399.17
• IUPAC Name: N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
• SMILES: CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(C)[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C22H26ClN3O2/c1-25(14-21(27)24-19-12-6-5-11-18(19)23)15-22(28)26(2)20-13-7-9-16-8-3-4-10-17(16)20/h3-6,8,10-12,20H,7,9,13-15H2,1-2H3,(H,24,27)/t20-/m0/s1
• InChIKey: PYAHFGJQPFROTH-FQEVSTJZSA-N
• XLogP: 3.75
• 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	399.92
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide (CID 9348624) is N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide.

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

The canonical SMILES for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide is CN(CC(=O)Nc1ccccc1Cl)CC(=O)N(C)[C@H]1CCCc2ccccc21.

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

The InChIKey is PYAHFGJQPFROTH-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26ClN3O2/c1-25(14-21(27)24-19-12-6-5-11-18(19)23)15-22(28)26(2)20-13-7-9-16-8-3-4-10-17(16)20/h3-6,8,10-12,20H,7,9,13-15H2,1-2H3,(H,24,27)/t20-/m0/s1.

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

N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 399.92 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-chlorophenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9348624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).