(3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione

C19H29NO6 — CID 16758322

IUPAC(3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione
SMILESCO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C
InChIInChI=1S/C19H29NO6/c1-13-7-5-10-18(22)25-12-16(24-4)14(2)8-6-9-17(21)20-15(3)19(23)26-11-13/h5-8,13-16H,9-12H2,1-4H3,(H,20,21)/b7-5-,8-6-/t13-,14-,15+,16-/m0/s1
InChIKeyLWDPMOSNANKXAG-NNPYRWJFSA-N
MW367.44 g/mol
LogP1.77
Rot. Bonds1

About (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione

(3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione (PubChem CID 16758322) has the molecular formula C19H29NO6 and a molecular weight of 367.44 g/mol. Its IUPAC name is (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione.

Molecular Properties

Compound Name(3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione
PubChem CID16758322
Molecular FormulaC19H29NO6
Molecular Weight367.44 g/mol
Exact Mass367.20
IUPAC Name(3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione
SMILESCO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C
InChIInChI=1S/C19H29NO6/c1-13-7-5-10-18(22)25-12-16(24-4)14(2)8-6-9-17(21)20-15(3)19(23)26-11-13/h5-8,13-16H,9-12H2,1-4H3,(H,20,21)/b7-5-,8-6-/t13-,14-,15+,16-/m0/s1
InChIKeyLWDPMOSNANKXAG-NNPYRWJFSA-N
XLogP1.77
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione?
The IUPAC name of (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione (CID 16758322) is (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione.
What is the SMILES notation for (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione?
The canonical SMILES for (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione is CO[C@H]1COC(=O)C/C=C\[C@H](C)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C.
What is the InChIKey of (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione?
The InChIKey is LWDPMOSNANKXAG-NNPYRWJFSA-N. The full InChI is InChI=1S/C19H29NO6/c1-13-7-5-10-18(22)25-12-16(24-4)14(2)8-6-9-17(21)20-15(3)19(23)26-11-13/h5-8,13-16H,9-12H2,1-4H3,(H,20,21)/b7-5-,8-6-/t13-,14-,15+,16-/m0/s1.
What are the key properties of (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione?
(3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione has a molecular weight of 367.44 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7Z,9S,10R,15Z,17S)-10-methoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclooctadeca-7,15-diene-2,5,13-trione is sourced from PubChem (CID 16758322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).