1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone

C20H27NO2 — CID 21324574

IUPAC1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone
SMILESCOc1ccc2c(c1)C1(C)CC3C(C(C)=O)CC1(C)C(C2)N3C
InChIInChI=1S/C20H27NO2/c1-12(22)15-10-20(3)18-8-13-6-7-14(23-5)9-16(13)19(20,2)11-17(15)21(18)4/h6-7,9,15,17-18H,8,10-11H2,1-5H3
InChIKeyZYIBVPPFARVAHG-UHFFFAOYSA-N
MW313.44 g/mol
LogP3.20
Rot. Bonds2

About 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone

1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone (PubChem CID 21324574) has the molecular formula C20H27NO2 and a molecular weight of 313.44 g/mol. Its IUPAC name is 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone.

Molecular Properties

Compound Name1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone
PubChem CID21324574
Molecular FormulaC20H27NO2
Molecular Weight313.44 g/mol
Exact Mass313.20
IUPAC Name1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone
SMILESCOc1ccc2c(c1)C1(C)CC3C(C(C)=O)CC1(C)C(C2)N3C
InChIInChI=1S/C20H27NO2/c1-12(22)15-10-20(3)18-8-13-6-7-14(23-5)9-16(13)19(20,2)11-17(15)21(18)4/h6-7,9,15,17-18H,8,10-11H2,1-5H3
InChIKeyZYIBVPPFARVAHG-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.44
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone?
The IUPAC name of 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone (CID 21324574) is 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone.
What is the SMILES notation for 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone?
The canonical SMILES for 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone is COc1ccc2c(c1)C1(C)CC3C(C(C)=O)CC1(C)C(C2)N3C.
What is the InChIKey of 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone?
The InChIKey is ZYIBVPPFARVAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27NO2/c1-12(22)15-10-20(3)18-8-13-6-7-14(23-5)9-16(13)19(20,2)11-17(15)21(18)4/h6-7,9,15,17-18H,8,10-11H2,1-5H3.
What are the key properties of 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone?
1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone has a molecular weight of 313.44 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1,10,14-trimethyl-10-azatetracyclo[9.3.1.02,7.09,14]pentadeca-2(7),3,5-trien-12-yl)ethanone is sourced from PubChem (CID 21324574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).