(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate

C17H20N2O3 — CID 738862

IUPAC(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(=O)n2c3c(cccc13)CCC2
InChIInChI=1S/C17H20N2O3/c1-3-18(4-2)17(21)22-14-11-15(20)19-10-6-8-12-7-5-9-13(14)16(12)19/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyXSIAVDJMZCQZQX-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.79
Rot. Bonds3

About (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate

(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate (PubChem CID 738862) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate.

Molecular Properties

Compound Name(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate
PubChem CID738862
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate
SMILESCCN(CC)C(=O)Oc1cc(=O)n2c3c(cccc13)CCC2
InChIInChI=1S/C17H20N2O3/c1-3-18(4-2)17(21)22-14-11-15(20)19-10-6-8-12-7-5-9-13(14)16(12)19/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyXSIAVDJMZCQZQX-UHFFFAOYSA-N
XLogP2.79
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 72819
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CID 5315426
CID 101652163
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CID 25183315
CID 25183315
CID 46878931
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CID 54682192
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CID 54683808
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CID 15460082
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CID 11289552
CID 11289552

Frequently Asked Questions

What is the IUPAC name of (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate?
The IUPAC name of (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate (CID 738862) is (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate.
What is the SMILES notation for (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate?
The canonical SMILES for (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate is CCN(CC)C(=O)Oc1cc(=O)n2c3c(cccc13)CCC2.
What is the InChIKey of (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate?
The InChIKey is XSIAVDJMZCQZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-18(4-2)17(21)22-14-11-15(20)19-10-6-8-12-7-5-9-13(14)16(12)19/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate?
(2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate has a molecular weight of 300.36 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1-azatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraen-4-yl) N,N-diethylcarbamate is sourced from PubChem (CID 738862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).