(1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione

C24H33NO5 — CID 163044335

IUPAC(1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione
SMILESCC1=C[C@@H]2C3=C(C)CC[C@H](O)[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H33NO5/c1-11(2)8-17-21-14(5)13(4)9-16-20-12(3)6-7-18(26)22(28)15(20)10-19(27)30-24(16,21)23(29)25-17/h9-11,14,16-18,21-22,26,28H,6-8H2,1-5H3,(H,25,29)/t14-,16-,17+,18+,21+,22-,24-/m1/s1
InChIKeyNPNQDBPASMXQCD-VWKFOHIGSA-N
MW415.53 g/mol
LogP2.41
Rot. Bonds2

About (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione

(1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione (PubChem CID 163044335) has the molecular formula C24H33NO5 and a molecular weight of 415.53 g/mol. Its IUPAC name is (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione.

Molecular Properties

Compound Name(1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione
PubChem CID163044335
Molecular FormulaC24H33NO5
Molecular Weight415.53 g/mol
Exact Mass415.24
IUPAC Name(1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione
SMILESCC1=C[C@@H]2C3=C(C)CC[C@H](O)[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C
InChIInChI=1S/C24H33NO5/c1-11(2)8-17-21-14(5)13(4)9-16-20-12(3)6-7-18(26)22(28)15(20)10-19(27)30-24(16,21)23(29)25-17/h9-11,14,16-18,21-22,26,28H,6-8H2,1-5H3,(H,25,29)/t14-,16-,17+,18+,21+,22-,24-/m1/s1
InChIKeyNPNQDBPASMXQCD-VWKFOHIGSA-N
XLogP2.41
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.53
LogP ≤ 52.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione?
The IUPAC name of (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione (CID 163044335) is (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione.
What is the SMILES notation for (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione?
The canonical SMILES for (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione is CC1=C[C@@H]2C3=C(C)CC[C@H](O)[C@H](O)C3=CC(=O)O[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C.
What is the InChIKey of (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione?
The InChIKey is NPNQDBPASMXQCD-VWKFOHIGSA-N. The full InChI is InChI=1S/C24H33NO5/c1-11(2)8-17-21-14(5)13(4)9-16-20-12(3)6-7-18(26)22(28)15(20)10-19(27)30-24(16,21)23(29)25-17/h9-11,14,16-18,21-22,26,28H,6-8H2,1-5H3,(H,25,29)/t14-,16-,17+,18+,21+,22-,24-/m1/s1.
What are the key properties of (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione?
(1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione has a molecular weight of 415.53 g/mol, XLogP of 2.41, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,7S,12R,15S,16S,17S)-6,7-dihydroxy-10,14,15-trimethyl-17-(2-methylpropyl)-2-oxa-18-azatetracyclo[10.7.0.01,16.05,11]nonadeca-4,10,13-triene-3,19-dione is sourced from PubChem (CID 163044335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).