(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one

C18H22N2O3 — CID 10519337

IUPAC(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one
SMILESCN1CN(C)C2=C(C1=O)[C@H]1c3ccccc3OC[C@H]1C(C)(C)O2
InChIInChI=1S/C18H22N2O3/c1-18(2)12-9-22-13-8-6-5-7-11(13)14(12)15-16(21)19(3)10-20(4)17(15)23-18/h5-8,12,14H,9-10H2,1-4H3/t12-,14+/m1/s1
InChIKeyRCOSHFOAFRJBAE-OCCSQVGLSA-N
MW314.38 g/mol
LogP2.16
Rot. Bonds

About (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one

(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one (PubChem CID 10519337) has the molecular formula C18H22N2O3 and a molecular weight of 314.38 g/mol. Its IUPAC name is (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one.

Molecular Properties

Compound Name(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one
PubChem CID10519337
Molecular FormulaC18H22N2O3
Molecular Weight314.38 g/mol
Exact Mass314.16
IUPAC Name(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one
SMILESCN1CN(C)C2=C(C1=O)[C@H]1c3ccccc3OC[C@H]1C(C)(C)O2
InChIInChI=1S/C18H22N2O3/c1-18(2)12-9-22-13-8-6-5-7-11(13)14(12)15-16(21)19(3)10-20(4)17(15)23-18/h5-8,12,14H,9-10H2,1-4H3/t12-,14+/m1/s1
InChIKeyRCOSHFOAFRJBAE-OCCSQVGLSA-N
XLogP2.16
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one?
The IUPAC name of (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one (CID 10519337) is (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one.
What is the SMILES notation for (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one?
The canonical SMILES for (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one is CN1CN(C)C2=C(C1=O)[C@H]1c3ccccc3OC[C@H]1C(C)(C)O2.
What is the InChIKey of (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one?
The InChIKey is RCOSHFOAFRJBAE-OCCSQVGLSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-18(2)12-9-22-13-8-6-5-7-11(13)14(12)15-16(21)19(3)10-20(4)17(15)23-18/h5-8,12,14H,9-10H2,1-4H3/t12-,14+/m1/s1.
What are the key properties of (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one?
(1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one has a molecular weight of 314.38 g/mol, XLogP of 2.16, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,10S)-4,6,9,9-tetramethyl-8,12-dioxa-4,6-diazatetracyclo[8.8.0.02,7.013,18]octadeca-2(7),13,15,17-tetraen-3-one is sourced from PubChem (CID 10519337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).