N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

C26H44N2O7 — CID 46060142

About N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide

N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (PubChem CID 46060142) has the molecular formula C26H44N2O7 and a molecular weight of 496.65 g/mol. Its IUPAC name is N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

Molecular Properties

• Compound Name: N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
• PubChem CID: 46060142
• Molecular Formula: C26H44N2O7
• Molecular Weight: 496.65 g/mol
• Exact Mass: 496.31
• IUPAC Name: N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide
• SMILES: COc1cc(C(=O)N(CC(C)C)CC2CN(CC(O)COCC(C)C)CCO2)cc(OC)c1OC
• InChI: InChI=1S/C26H44N2O7/c1-18(2)12-28(26(30)20-10-23(31-5)25(33-7)24(11-20)32-6)15-22-14-27(8-9-35-22)13-21(29)17-34-16-19(3)4/h10-11,18-19,21-22,29H,8-9,12-17H2,1-7H3
• InChIKey: AVDCDJMIRBMOMZ-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 89.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 14
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.65
LogP ≤ 5	2.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide (CID 46060142) is N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide.

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

The canonical SMILES for N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is COc1cc(C(=O)N(CC(C)C)CC2CN(CC(O)COCC(C)C)CCO2)cc(OC)c1OC.

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

The InChIKey is AVDCDJMIRBMOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2O7/c1-18(2)12-28(26(30)20-10-23(31-5)25(33-7)24(11-20)32-6)15-22-14-27(8-9-35-22)13-21(29)17-34-16-19(3)4/h10-11,18-19,21-22,29H,8-9,12-17H2,1-7H3.

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

N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide has a molecular weight of 496.65 g/mol, XLogP of 2.54, 14 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[4-[2-hydroxy-3-(2-methylpropoxy)propyl]morpholin-2-yl]methyl]-3,4,5-trimethoxy-N-(2-methylpropyl)benzamide is sourced from PubChem (CID 46060142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).