N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide

C24H31N3O2 — CID 9347975

About N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide

N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide (PubChem CID 9347975) has the molecular formula C24H31N3O2 and a molecular weight of 393.53 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide.

Molecular Properties

• Compound Name: N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
• PubChem CID: 9347975
• Molecular Formula: C24H31N3O2
• Molecular Weight: 393.53 g/mol
• Exact Mass: 393.24
• IUPAC Name: N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide
• SMILES: Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C24H31N3O2/c1-17-9-7-10-18(2)24(17)25-22(28)15-26(3)16-23(29)27(4)21-14-8-12-19-11-5-6-13-20(19)21/h5-7,9-11,13,21H,8,12,14-16H2,1-4H3,(H,25,28)/t21-/m0/s1
• InChIKey: DKFHVUGMDBPGBO-NRFANRHFSA-N
• XLogP: 3.71
• TPSA: 52.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.53
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

The IUPAC name of N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide (CID 9347975) is N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide.

What is the SMILES notation for N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

The canonical SMILES for N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide is Cc1cccc(C)c1NC(=O)CN(C)CC(=O)N(C)[C@H]1CCCc2ccccc21.

What is the InChIKey of N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

The InChIKey is DKFHVUGMDBPGBO-NRFANRHFSA-N. The full InChI is InChI=1S/C24H31N3O2/c1-17-9-7-10-18(2)24(17)25-22(28)15-26(3)16-23(29)27(4)21-14-8-12-19-11-5-6-13-20(19)21/h5-7,9-11,13,21H,8,12,14-16H2,1-4H3,(H,25,28)/t21-/m0/s1.

What are the key properties of N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide?

N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide has a molecular weight of 393.53 g/mol, XLogP of 3.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2,6-dimethylphenyl)-2-[methyl-[2-[methyl-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]amino]-2-oxoethyl]amino]acetamide is sourced from PubChem (CID 9347975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).