4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide

C18H20N2O3 — CID 30132441

IUPAC4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cn2c3c(cccc3c1=O)CCC2
InChIInChI=1S/C18H20N2O3/c21-17-14-7-1-4-12-5-2-8-20(16(12)14)11-15(17)18(22)19-10-13-6-3-9-23-13/h1,4,7,11,13H,2-3,5-6,8-10H2,(H,19,22)/t13-/m1/s1
InChIKeyMRLDMTGYYCJREJ-CYBMUJFWSA-N
MW312.37 g/mol
LogP1.86
Rot. Bonds3

About 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide

4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide (PubChem CID 30132441) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide.

Molecular Properties

Compound Name4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
PubChem CID30132441
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
SMILESO=C(NC[C@H]1CCCO1)c1cn2c3c(cccc3c1=O)CCC2
InChIInChI=1S/C18H20N2O3/c21-17-14-7-1-4-12-5-2-8-20(16(12)14)11-15(17)18(22)19-10-13-6-3-9-23-13/h1,4,7,11,13H,2-3,5-6,8-10H2,(H,19,22)/t13-/m1/s1
InChIKeyMRLDMTGYYCJREJ-CYBMUJFWSA-N
XLogP1.86
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide with MolForge

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Related Compounds

N-benzyl-4-oxo-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132412
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
4-oxo-N-[4-(trifluoromethyl)phenyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide
CID 30132534
8-ethyl-4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-1H-quinoline-3-carboxamide
CID 25322575
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
1-ethyl-4-oxo-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)quinoline-3-carboxamide
CID 43888780
8-methoxy-4-oxo-N-(oxolan-2-ylmethyl)-1H-quinoline-3-carboxamide
CID 43831833
4-fluoro-N-[[(2R)-oxolan-2-yl]methyl]naphthalene-1-carboxamide
CID 689145
2-(azepan-1-yl)-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 3192331
N-(oxolan-2-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 3192318
2-[[(2R)-oxolan-2-yl]methylcarbamoyl]cyclohexene-1-carboxylic acid
CID 40951021
N-[2-[[(2R)-oxolan-2-yl]methylcarbamoyl]phenyl]naphthalene-1-carboxamide
CID 1319633

Frequently Asked Questions

What is the IUPAC name of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
The IUPAC name of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide (CID 30132441) is 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide.
What is the SMILES notation for 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
The canonical SMILES for 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide is O=C(NC[C@H]1CCCO1)c1cn2c3c(cccc3c1=O)CCC2.
What is the InChIKey of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
The InChIKey is MRLDMTGYYCJREJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-17-14-7-1-4-12-5-2-8-20(16(12)14)11-15(17)18(22)19-10-13-6-3-9-23-13/h1,4,7,11,13H,2-3,5-6,8-10H2,(H,19,22)/t13-/m1/s1.
What are the key properties of 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide?
4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide has a molecular weight of 312.37 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13)-tetraene-3-carboxamide is sourced from PubChem (CID 30132441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).