(1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione

C24H33N3O5 — CID 125415955

About (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione

(1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione (PubChem CID 125415955) has the molecular formula C24H33N3O5 and a molecular weight of 443.54 g/mol. Its IUPAC name is (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione.

Molecular Properties

• Compound Name: (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione
• PubChem CID: 125415955
• Molecular Formula: C24H33N3O5
• Molecular Weight: 443.54 g/mol
• Exact Mass: 443.24
• IUPAC Name: (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione
• SMILES: O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(CC1CC1)C2
• InChI: InChI=1S/C24H33N3O5/c28-20-8-7-17-9-10-31-21-4-2-1-3-18(21)23(29)26-16-11-19(24(30)25-12-22(20)32-17)27(14-16)13-15-5-6-15/h1-4,15-17,19-20,22,28H,5-14H2,(H,25,30)(H,26,29)/t16-,17-,19-,20-,22+/m0/s1
• InChIKey: QOCOYWNDBXQIBK-JBISBCIJSA-N
• XLogP: 1.08
• TPSA: 100.13 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.54
LogP ≤ 5	1.08
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione?

The IUPAC name of (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione (CID 125415955) is (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione.

What is the SMILES notation for (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione?

The canonical SMILES for (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione is O=C1N[C@H]2C[C@@H](C(=O)NC[C@H]3O[C@H](CCOc4ccccc41)CC[C@@H]3O)N(CC1CC1)C2.

What is the InChIKey of (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione?

The InChIKey is QOCOYWNDBXQIBK-JBISBCIJSA-N. The full InChI is InChI=1S/C24H33N3O5/c28-20-8-7-17-9-10-31-21-4-2-1-3-18(21)23(29)26-16-11-19(24(30)25-12-22(20)32-17)27(14-16)13-15-5-6-15/h1-4,15-17,19-20,22,28H,5-14H2,(H,25,30)(H,26,29)/t16-,17-,19-,20-,22+/m0/s1.

What are the key properties of (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione?

(1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione has a molecular weight of 443.54 g/mol, XLogP of 1.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,5S,8S,20S,23S)-6-(cyclopropylmethyl)-23-hydroxy-17,24-dioxa-3,6,9-triazatetracyclo[18.3.1.15,8.011,16]pentacosa-11,13,15-triene-4,10-dione is sourced from PubChem (CID 125415955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).