N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

C25H42N2O7 — CID 99731545

About N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 99731545) has the molecular formula C25H42N2O7 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
• PubChem CID: 99731545
• Molecular Formula: C25H42N2O7
• Molecular Weight: 482.62 g/mol
• Exact Mass: 482.30
• IUPAC Name: N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
• SMILES: COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COC(C)C)CCO2)cc(OC)c1OC
• InChI: InChI=1S/C25H42N2O7/c1-17(2)12-27(25(29)19-10-22(30-5)24(32-7)23(11-19)31-6)15-21-14-26(8-9-33-21)13-20(28)16-34-18(3)4/h10-11,17-18,20-21,28H,8-9,12-16H2,1-7H3/t20-,21-/m1/s1
• InChIKey: DWCGJVLEQLRQRE-NHCUHLMSSA-N
• XLogP: 2.30
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 13
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	482.62
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?

The IUPAC name of N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (CID 99731545) is N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

What is the SMILES notation for N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?

The canonical SMILES for N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(CC(C)C)C[C@H]2CN(C[C@@H](O)COC(C)C)CCO2)cc(OC)c1OC.

What is the InChIKey of N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?

The InChIKey is DWCGJVLEQLRQRE-NHCUHLMSSA-N. The full InChI is InChI=1S/C25H42N2O7/c1-17(2)12-27(25(29)19-10-22(30-5)24(32-7)23(11-19)31-6)15-21-14-26(8-9-33-21)13-20(28)16-34-18(3)4/h10-11,17-18,20-21,28H,8-9,12-16H2,1-7H3/t20-,21-/m1/s1.

What are the key properties of N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide?

N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 482.62 g/mol, XLogP of 2.30, 13 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2R)-4-[(2R)-2-hydroxy-3-propan-2-yloxypropyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 99731545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).