4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide

C36H50N4O6 — CID 69495185

About 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide

4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide (PubChem CID 69495185) has the molecular formula C36H50N4O6 and a molecular weight of 634.82 g/mol. Its IUPAC name is 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide
• PubChem CID: 69495185
• Molecular Formula: C36H50N4O6
• Molecular Weight: 634.82 g/mol
• Exact Mass: 634.37
• IUPAC Name: 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide
• SMILES: CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)N(C)C)cc3OC)cc1)CC2
• InChI: InChI=1S/C36H50N4O6/c1-5-6-20-40-34(43)31(32(41)26-10-8-7-9-11-26)37-35(44)36(40)18-21-39(22-19-36)24-25-12-15-28(16-13-25)46-29-17-14-27(23-30(29)45-4)33(42)38(2)3/h12-17,23,26,31-32,41H,5-11,18-22,24H2,1-4H3,(H,37,44)/t31-,32-/m1/s1
• InChIKey: CLKBCTAVPFWABO-ROJLCIKYSA-N
• XLogP: 4.59
• TPSA: 111.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	634.82
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide?

The IUPAC name of 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide (CID 69495185) is 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide?

The canonical SMILES for 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide is CCCCN1C(=O)[C@@H]([C@H](O)C2CCCCC2)NC(=O)C12CCN(Cc1ccc(Oc3ccc(C(=O)N(C)C)cc3OC)cc1)CC2.

What is the InChIKey of 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide?

The InChIKey is CLKBCTAVPFWABO-ROJLCIKYSA-N. The full InChI is InChI=1S/C36H50N4O6/c1-5-6-20-40-34(43)31(32(41)26-10-8-7-9-11-26)37-35(44)36(40)18-21-39(22-19-36)24-25-12-15-28(16-13-25)46-29-17-14-27(23-30(29)45-4)33(42)38(2)3/h12-17,23,26,31-32,41H,5-11,18-22,24H2,1-4H3,(H,37,44)/t31-,32-/m1/s1.

What are the key properties of 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide?

4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide has a molecular weight of 634.82 g/mol, XLogP of 4.59, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[(3R)-1-butyl-3-[(R)-cyclohexyl(hydroxy)methyl]-2,5-dioxo-1,4,9-triazaspiro[5.5]undecan-9-yl]methyl]phenoxy]-3-methoxy-N,N-dimethylbenzamide is sourced from PubChem (CID 69495185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).