(3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione

C21H30N2O3 — CID 71759458

IUPAC(3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione
SMILESCC(C)[C@@H]1C/C=C\C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C)C(=O)N1
InChIInChI=1S/C21H30N2O3/c1-14(2)18-12-8-6-10-15(3)26-19-13-9-7-11-17(19)21(25)23(5)16(4)20(24)22-18/h6-9,11,13-16,18H,10,12H2,1-5H3,(H,22,24)/b8-6-/t15-,16-,18+/m1/s1
InChIKeyQFIUZUGIFYOZOV-WRDCTRJWSA-N
MW358.48 g/mol
LogP3.41
Rot. Bonds1

About (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione

(3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione (PubChem CID 71759458) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione.

Molecular Properties

Compound Name(3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione
PubChem CID71759458
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC Name(3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione
SMILESCC(C)[C@@H]1C/C=C\C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C)C(=O)N1
InChIInChI=1S/C21H30N2O3/c1-14(2)18-12-8-6-10-15(3)26-19-13-9-7-11-17(19)21(25)23(5)16(4)20(24)22-18/h6-9,11,13-16,18H,10,12H2,1-5H3,(H,22,24)/b8-6-/t15-,16-,18+/m1/s1
InChIKeyQFIUZUGIFYOZOV-WRDCTRJWSA-N
XLogP3.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione 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,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione?
The IUPAC name of (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione (CID 71759458) is (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione.
What is the SMILES notation for (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione?
The canonical SMILES for (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione is CC(C)[C@@H]1C/C=C\C[C@@H](C)Oc2ccccc2C(=O)N(C)[C@H](C)C(=O)N1.
What is the InChIKey of (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione?
The InChIKey is QFIUZUGIFYOZOV-WRDCTRJWSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-14(2)18-12-8-6-10-15(3)26-19-13-9-7-11-17(19)21(25)23(5)16(4)20(24)22-18/h6-9,11,13-16,18H,10,12H2,1-5H3,(H,22,24)/b8-6-/t15-,16-,18+/m1/s1.
What are the key properties of (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione?
(3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione has a molecular weight of 358.48 g/mol, XLogP of 3.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5Z,8S,11R)-3,11,12-trimethyl-8-propan-2-yl-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione is sourced from PubChem (CID 71759458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).