5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide

C32H46N4O5 — CID 146352142

About 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide

5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide (PubChem CID 146352142) has the molecular formula C32H46N4O5 and a molecular weight of 566.74 g/mol. Its IUPAC name is 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide.

Molecular Properties

• Compound Name: 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide
• PubChem CID: 146352142
• Molecular Formula: C32H46N4O5
• Molecular Weight: 566.74 g/mol
• Exact Mass: 566.35
• IUPAC Name: 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide
• SMILES: CCN(c1cc(OC2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOC1
• InChI: InChI=1S/C32H46N4O5/c1-7-36(24-8-9-39-18-24)30-14-27(41-26-11-25(12-26)35-16-21(4)40-22(5)17-35)13-28(23(30)6)31(37)33-15-29-19(2)10-20(3)34-32(29)38/h10,13-14,21-22,24-26H,7-9,11-12,15-18H2,1-6H3,(H,33,37)(H,34,38)/t21-,22+,24?,25?,26?
• InChIKey: VCVRFOHEDULOPZ-WDPMVNMASA-N
• XLogP: 3.86
• TPSA: 96.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	566.74
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide?

The IUPAC name of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide (CID 146352142) is 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide.

What is the SMILES notation for 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide?

The canonical SMILES for 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide is CCN(c1cc(OC2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)C1CCOC1.

What is the InChIKey of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide?

The InChIKey is VCVRFOHEDULOPZ-WDPMVNMASA-N. The full InChI is InChI=1S/C32H46N4O5/c1-7-36(24-8-9-39-18-24)30-14-27(41-26-11-25(12-26)35-16-21(4)40-22(5)17-35)13-28(23(30)6)31(37)33-15-29-19(2)10-20(3)34-32(29)38/h10,13-14,21-22,24-26H,7-9,11-12,15-18H2,1-6H3,(H,33,37)(H,34,38)/t21-,22+,24?,25?,26?.

What are the key properties of 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide?

5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide has a molecular weight of 566.74 g/mol, XLogP of 3.86, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]cyclobutyl]oxy-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxolan-3-yl)amino]-2-methylbenzamide is sourced from PubChem (CID 146352142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).