N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide

C60H91N3O16S — CID 24860955

About N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide

N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide (PubChem CID 24860955) has the molecular formula C60H91N3O16S and a molecular weight of 1142.46 g/mol. Its IUPAC name is N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 24860955
• Molecular Formula: C60H91N3O16S
• Molecular Weight: 1142.46 g/mol
• Exact Mass: 1141.61
• IUPAC Name: N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide
• SMILES: CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCN(C(=O)c3ccncc3)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@@]21C
• InChI: InChI=1S/C60H91N3O16S/c1-16-45-60(10)47(51(56(69)79-60)80-28-27-63(54(67)39-23-25-61-26-24-39)40-21-22-43(70-13)44(30-40)75-41-19-17-18-20-41)35(4)48(64)33(2)31-59(9,72-15)53(78-57-49(65)42(62(11)12)29-34(3)73-57)36(5)50(37(6)55(68)76-45)77-46-32-58(8,71-14)52(66)38(7)74-46/h21-26,30,33-38,41-42,45-47,49-53,57,65-66H,16-20,27-29,31-32H2,1-15H3/t33-,34-,35-,36+,37-,38+,42+,45-,46+,47+,49-,50+,51+,52+,53-,57+,58-,59-,60-/m1/s1
• InChIKey: PCUFFPAUZZUPSV-DUMLENILSA-N
• XLogP: 7.43
• TPSA: 220.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 19
• Rotatable Bonds: 17
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1142.46
LogP ≤ 5	7.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide?

The IUPAC name of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide (CID 24860955) is N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide is CC[C@H]1OC(=O)[C@H](C)[C@@H](O[C@H]2C[C@@](C)(OC)[C@@H](O)[C@H](C)O2)[C@H](C)[C@@H](O[C@@H]2O[C@H](C)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC)C[C@@H](C)C(=O)[C@H](C)[C@H]2[C@H](SCCN(C(=O)c3ccncc3)c3ccc(OC)c(OC4CCCC4)c3)C(=O)O[C@@]21C.

What is the InChIKey of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide?

The InChIKey is PCUFFPAUZZUPSV-DUMLENILSA-N. The full InChI is InChI=1S/C60H91N3O16S/c1-16-45-60(10)47(51(56(69)79-60)80-28-27-63(54(67)39-23-25-61-26-24-39)40-21-22-43(70-13)44(30-40)75-41-19-17-18-20-41)35(4)48(64)33(2)31-59(9,72-15)53(78-57-49(65)42(62(11)12)29-34(3)73-57)36(5)50(37(6)55(68)76-45)77-46-32-58(8,71-14)52(66)38(7)74-46/h21-26,30,33-38,41-42,45-47,49-53,57,65-66H,16-20,27-29,31-32H2,1-15H3/t33-,34-,35-,36+,37-,38+,42+,45-,46+,47+,49-,50+,51+,52+,53-,57+,58-,59-,60-/m1/s1.

What are the key properties of N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide?

N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide has a molecular weight of 1142.46 g/mol, XLogP of 7.43, 17 rotatable bonds, 2 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-cyclopentyloxy-4-methoxyphenyl)-N-[2-[[(1S,2R,5R,6S,7S,8R,9R,11R,13R,14R,15S)-8-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-2-ethyl-6-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-9-methoxy-1,5,7,9,11,13-hexamethyl-4,12,16-trioxo-3,17-dioxabicyclo[12.3.0]heptadecan-15-yl]sulfanyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 24860955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).