[(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate

C38H60N2O6 — CID 144551749

About [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate

[(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate (PubChem CID 144551749) has the molecular formula C38H60N2O6 and a molecular weight of 640.91 g/mol. Its IUPAC name is [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate.

Molecular Properties

• Compound Name: [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate
• PubChem CID: 144551749
• Molecular Formula: C38H60N2O6
• Molecular Weight: 640.91 g/mol
• Exact Mass: 640.45
• IUPAC Name: [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate
• SMILES: C[C@@H]1C23CC[C@H](OC4CN(C(=O)CC5CC5)CCO4)C(C)(C)C2CC[C@H]2C4C[C@H]5O[C@@H](COC(=O)N(C)C)CCC5[C@@]4(C)CC[C@]123
• InChI: InChI=1S/C38H60N2O6/c1-23-37-16-15-36(4)27-10-9-25(22-44-34(42)39(5)6)45-29(27)20-28(36)26(37)11-12-30-35(2,3)31(13-14-38(23,30)37)46-33-21-40(17-18-43-33)32(41)19-24-7-8-24/h23-31,33H,7-22H2,1-6H3/t23-,25+,26-,27?,28?,29+,30?,31-,33?,36+,37-,38?/m0/s1
• InChIKey: KEASYJZUWRGISZ-WWJLPGGJSA-N
• XLogP: 6.51
• TPSA: 77.54 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	640.91
LogP ≤ 5	6.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate?

The IUPAC name of [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate (CID 144551749) is [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate.

What is the SMILES notation for [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate?

The canonical SMILES for [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate is C[C@@H]1C23CC[C@H](OC4CN(C(=O)CC5CC5)CCO4)C(C)(C)C2CC[C@H]2C4C[C@H]5O[C@@H](COC(=O)N(C)C)CCC5[C@@]4(C)CC[C@]123.

What is the InChIKey of [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate?

The InChIKey is KEASYJZUWRGISZ-WWJLPGGJSA-N. The full InChI is InChI=1S/C38H60N2O6/c1-23-37-16-15-36(4)27-10-9-25(22-44-34(42)39(5)6)45-29(27)20-28(36)26(37)11-12-30-35(2,3)31(13-14-38(23,30)37)46-33-21-40(17-18-43-33)32(41)19-24-7-8-24/h23-31,33H,7-22H2,1-6H3/t23-,25+,26-,27?,28?,29+,30?,31-,33?,36+,37-,38?/m0/s1.

What are the key properties of [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate?

[(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate has a molecular weight of 640.91 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [(1R,4S,8R,10R,13S,18S,22S)-18-[4-(2-cyclopropylacetyl)morpholin-2-yl]oxy-4,17,17,22-tetramethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl]methyl N,N-dimethylcarbamate is sourced from PubChem (CID 144551749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).