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

C23H34N2O3 — CID 71758907

IUPAC(3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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)C)C(=O)N1
InChIInChI=1S/C23H34N2O3/c1-15(2)19-13-9-7-11-17(5)28-20-14-10-8-12-18(20)23(27)25(6)21(16(3)4)22(26)24-19/h7-10,12,14-17,19,21H,11,13H2,1-6H3,(H,24,26)/b9-7+/t17-,19-,21-/m1/s1
InChIKeyLWHPZOYAMURLFL-DJTUWZQVSA-N
MW386.54 g/mol
LogP4.04
Rot. Bonds2

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

(3R,5E,8R,11R)-3,12-dimethyl-8,11-di(propan-2-yl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione (PubChem CID 71758907) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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,5E,8R,11R)-3,12-dimethyl-8,11-di(propan-2-yl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione
PubChem CID71758907
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name(3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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)C)C(=O)N1
InChIInChI=1S/C23H34N2O3/c1-15(2)19-13-9-7-11-17(5)28-20-14-10-8-12-18(20)23(27)25(6)21(16(3)4)22(26)24-19/h7-10,12,14-17,19,21H,11,13H2,1-6H3,(H,24,26)/b9-7+/t17-,19-,21-/m1/s1
InChIKeyLWHPZOYAMURLFL-DJTUWZQVSA-N
XLogP4.04
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(propan-2-yl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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,5E,8R,11R)-3,12-dimethyl-8,11-di(propan-2-yl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione (CID 71758907) is (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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,5E,8R,11R)-3,12-dimethyl-8,11-di(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,5E,8R,11R)-3,12-dimethyl-8,11-di(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)C)C(=O)N1.
What is the InChIKey of (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(propan-2-yl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione?
The InChIKey is LWHPZOYAMURLFL-DJTUWZQVSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-15(2)19-13-9-7-11-17(5)28-20-14-10-8-12-18(20)23(27)25(6)21(16(3)4)22(26)24-19/h7-10,12,14-17,19,21H,11,13H2,1-6H3,(H,24,26)/b9-7+/t17-,19-,21-/m1/s1.
What are the key properties of (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(propan-2-yl)-2-oxa-9,12-diazabicyclo[12.4.0]octadeca-1(18),5,14,16-tetraene-10,13-dione?
(3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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 386.54 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5E,8R,11R)-3,12-dimethyl-8,11-di(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 71758907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).