N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide

C17H24N2O2 — CID 21126751

IUPACN,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)C1CN2CCc3ccccc3C2CO1
InChIInChI=1S/C17H24N2O2/c1-3-18(4-2)17(20)16-11-19-10-9-13-7-5-6-8-14(13)15(19)12-21-16/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyDVFIQLIOQZOZGU-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.85
Rot. Bonds3

About N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide

N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide (PubChem CID 21126751) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
PubChem CID21126751
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide
SMILESCCN(CC)C(=O)C1CN2CCc3ccccc3C2CO1
InChIInChI=1S/C17H24N2O2/c1-3-18(4-2)17(20)16-11-19-10-9-13-7-5-6-8-14(13)15(19)12-21-16/h5-8,15-16H,3-4,9-12H2,1-2H3
InChIKeyDVFIQLIOQZOZGU-UHFFFAOYSA-N
XLogP1.85
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide with MolForge

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Related Compounds

2-acetyl-N,N-diethyl-3,4-dihydro-1H-isoquinoline-1-carboxamide
CID 53014905
4-(2,3-dihydro-1H-inden-1-yl)morpholine-2-carboxylic acid
CID 65067081
N-butan-2-yl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline-2-carboxamide
CID 110629459
N-[(2R,11bS)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]-N-methylacetamide
CID 14107038
N,N-diethyl-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 113237086
N-ethyl-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine-12-carboxamide
CID 22164263
2-nonyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
CID 46212023
N-[[1-(2,3-dihydro-1H-inden-1-yl)piperidin-3-yl]methyl]-N-ethyl-1H-indole-2-carboxamide
CID 129055393
(2S,4R)-1-(2,3-dihydro-1H-inden-2-yl)-N,N-diethyl-4-[(1-methylpiperidin-4-yl)amino]pyrrolidine-2-carboxamide
CID 28634521
3-[3,4-dihydro-1H-isochromene-1-carbonyl(ethyl)amino]-2-methylpropanoic acid
CID 62827746
1-(1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinolin-2-yl)-3-methylsulfonylpropan-1-one
CID 110629480
(2S,4S)-4-amino-1-[2-(2,3-dihydroindol-1-yl)-2-oxoacetyl]-N,N-diethylpyrrolidine-2-carboxamide
CID 56719551

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide?
The IUPAC name of N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide (CID 21126751) is N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide.
What is the SMILES notation for N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide?
The canonical SMILES for N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide is CCN(CC)C(=O)C1CN2CCc3ccccc3C2CO1.
What is the InChIKey of N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide?
The InChIKey is DVFIQLIOQZOZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-18(4-2)17(20)16-11-19-10-9-13-7-5-6-8-14(13)15(19)12-21-16/h5-8,15-16H,3-4,9-12H2,1-2H3.
What are the key properties of N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide?
N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide has a molecular weight of 288.39 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,3,4,6,7,11b-hexahydro-[1,4]oxazino[3,4-a]isoquinoline-3-carboxamide is sourced from PubChem (CID 21126751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).