(1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

C23H33N3O5 — CID 122165056

IUPAC(1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
SMILESCC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3
InChIInChI=1S/C23H33N3O5/c1-15(2)25-10-11-26-18(14-25)22(28)24-13-21-19(27)8-7-16(31-21)9-12-30-20-6-4-3-5-17(20)23(26)29/h3-6,15-16,18-19,21,27H,7-14H2,1-2H3,(H,24,28)/t16-,18-,19-,21+/m0/s1
InChIKeyUKSGWNAIRPHURT-MCNSAMFCSA-N
MW431.53 g/mol
LogP1.03
Rot. Bonds1

About (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione

(1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione (PubChem CID 122165056) has the molecular formula C23H33N3O5 and a molecular weight of 431.53 g/mol. Its IUPAC name is (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione.

Molecular Properties

Compound Name(1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
PubChem CID122165056
Molecular FormulaC23H33N3O5
Molecular Weight431.53 g/mol
Exact Mass431.24
IUPAC Name(1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione
SMILESCC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3
InChIInChI=1S/C23H33N3O5/c1-15(2)25-10-11-26-18(14-25)22(28)24-13-21-19(27)8-7-16(31-21)9-12-30-20-6-4-3-5-17(20)23(26)29/h3-6,15-16,18-19,21,27H,7-14H2,1-2H3,(H,24,28)/t16-,18-,19-,21+/m0/s1
InChIKeyUKSGWNAIRPHURT-MCNSAMFCSA-N
XLogP1.03
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.53
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
The IUPAC name of (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione (CID 122165056) is (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione.
What is the SMILES notation for (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
The canonical SMILES for (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione is CC(C)N1CCN2C(=O)c3ccccc3OCC[C@@H]3CC[C@H](O)[C@@H](CNC(=O)[C@@H]2C1)O3.
What is the InChIKey of (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
The InChIKey is UKSGWNAIRPHURT-MCNSAMFCSA-N. The full InChI is InChI=1S/C23H33N3O5/c1-15(2)25-10-11-26-18(14-25)22(28)24-13-21-19(27)8-7-16(31-21)9-12-30-20-6-4-3-5-17(20)23(26)29/h3-6,15-16,18-19,21,27H,7-14H2,1-2H3,(H,24,28)/t16-,18-,19-,21+/m0/s1.
What are the key properties of (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione?
(1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione has a molecular weight of 431.53 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,21S,24S)-24-hydroxy-7-propan-2-yl-18,25-dioxa-3,7,10-triazatetracyclo[19.3.1.05,10.012,17]pentacosa-12,14,16-triene-4,11-dione is sourced from PubChem (CID 122165056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).