(3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione

C21H35NO7 — CID 16758345

IUPAC(3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione
SMILESCO[C@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C
InChIInChI=1S/C21H35NO7/c1-14-8-6-10-19(23)22-16(3)21(25)29-13-18(27-5)15(2)9-7-11-20(24)28-12-17(14)26-4/h6,8,14-18H,7,9-13H2,1-5H3,(H,22,23)/b8-6-/t14-,15+,16+,17-,18+/m0/s1
InChIKeyLZPZWVDNMCFDAK-MNJUVBCESA-N
MW413.51 g/mol
LogP2.01
Rot. Bonds2

About (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione

(3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione (PubChem CID 16758345) has the molecular formula C21H35NO7 and a molecular weight of 413.51 g/mol. Its IUPAC name is (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione.

Molecular Properties

Compound Name(3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione
PubChem CID16758345
Molecular FormulaC21H35NO7
Molecular Weight413.51 g/mol
Exact Mass413.24
IUPAC Name(3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione
SMILESCO[C@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C
InChIInChI=1S/C21H35NO7/c1-14-8-6-10-19(23)22-16(3)21(25)29-13-18(27-5)15(2)9-7-11-20(24)28-12-17(14)26-4/h6,8,14-18H,7,9-13H2,1-5H3,(H,22,23)/b8-6-/t14-,15+,16+,17-,18+/m0/s1
InChIKeyLZPZWVDNMCFDAK-MNJUVBCESA-N
XLogP2.01
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.51
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione?
The IUPAC name of (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione (CID 16758345) is (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione.
What is the SMILES notation for (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione?
The canonical SMILES for (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione is CO[C@H]1COC(=O)CCC[C@@H](C)[C@H](OC)COC(=O)[C@@H](C)NC(=O)C/C=C\[C@@H]1C.
What is the InChIKey of (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione?
The InChIKey is LZPZWVDNMCFDAK-MNJUVBCESA-N. The full InChI is InChI=1S/C21H35NO7/c1-14-8-6-10-19(23)22-16(3)21(25)29-13-18(27-5)15(2)9-7-11-20(24)28-12-17(14)26-4/h6,8,14-18H,7,9-13H2,1-5H3,(H,22,23)/b8-6-/t14-,15+,16+,17-,18+/m0/s1.
What are the key properties of (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione?
(3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione has a molecular weight of 413.51 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,7Z,9S,10R,17R,18S)-10,18-dimethoxy-3,9,17-trimethyl-1,12-dioxa-4-azacyclononadec-7-ene-2,5,13-trione is sourced from PubChem (CID 16758345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).