(1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide

C26H38N4O6 — CID 172883711

About (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide

(1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide (PubChem CID 172883711) has the molecular formula C26H38N4O6 and a molecular weight of 502.61 g/mol. Its IUPAC name is (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide.

Molecular Properties

• Compound Name: (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide
• PubChem CID: 172883711
• Molecular Formula: C26H38N4O6
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.28
• IUPAC Name: (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide
• SMILES: CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(C(C)C)ccc3C(=O)N2)CC[C@@H]1O
• InChI: InChI=1S/C26H38N4O6/c1-4-27-26(34)30-14-17-12-20(30)25(33)28-13-23-21(31)8-6-18(36-23)9-10-35-22-11-16(15(2)3)5-7-19(22)24(32)29-17/h5,7,11,15,17-18,20-21,23,31H,4,6,8-10,12-14H2,1-3H3,(H,27,34)(H,28,33)(H,29,32)/t17-,18-,20-,21-,23+/m0/s1
• InChIKey: OTFLAFFTDUPUCM-LUEXDFBHSA-N
• XLogP: 1.52
• TPSA: 129.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?

The IUPAC name of (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide (CID 172883711) is (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide.

What is the SMILES notation for (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?

The canonical SMILES for (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide is CCNC(=O)N1C[C@@H]2C[C@H]1C(=O)NC[C@H]1O[C@H](CCOc3cc(C(C)C)ccc3C(=O)N2)CC[C@@H]1O.

What is the InChIKey of (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?

The InChIKey is OTFLAFFTDUPUCM-LUEXDFBHSA-N. The full InChI is InChI=1S/C26H38N4O6/c1-4-27-26(34)30-14-17-12-20(30)25(33)28-13-23-21(31)8-6-18(36-23)9-10-35-22-11-16(15(2)3)5-7-19(22)24(32)29-17/h5,7,11,15,17-18,20-21,23,31H,4,6,8-10,12-14H2,1-3H3,(H,27,34)(H,28,33)(H,29,32)/t17-,18-,20-,21-,23+/m0/s1.

What are the key properties of (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide?

(1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide has a molecular weight of 502.61 g/mol, XLogP of 1.52, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S,8S,20S,23S)-N-ethyl-23-hydroxy-4,10-dioxo-14-propan-2-yl-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11(16),12,14-triene-6-carboxamide is sourced from PubChem (CID 172883711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).