(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide

C16H28N2O3 — CID 120934010

IUPAC(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide
SMILESCCOC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C12CCCC2
InChIInChI=1S/C16H28N2O3/c1-3-20-13-10-12(16(13)6-4-5-7-16)18-15(19)14-11(2)21-9-8-17-14/h11-14,17H,3-10H2,1-2H3,(H,18,19)/t11-,12?,13?,14+/m1/s1
InChIKeyPLUHSTRGVOZNFK-RYSNWHEDSA-N
MW296.41 g/mol
LogP1.22
Rot. Bonds4

About (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide (PubChem CID 120934010) has the molecular formula C16H28N2O3 and a molecular weight of 296.41 g/mol. Its IUPAC name is (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide
PubChem CID120934010
Molecular FormulaC16H28N2O3
Molecular Weight296.41 g/mol
Exact Mass296.21
IUPAC Name(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide
SMILESCCOC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C12CCCC2
InChIInChI=1S/C16H28N2O3/c1-3-20-13-10-12(16(13)6-4-5-7-16)18-15(19)14-11(2)21-9-8-17-14/h11-14,17H,3-10H2,1-2H3,(H,18,19)/t11-,12?,13?,14+/m1/s1
InChIKeyPLUHSTRGVOZNFK-RYSNWHEDSA-N
XLogP1.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935270
N-(3-ethoxyspiro[3.5]nonan-1-yl)morpholine-2-carboxamide
CID 119805201
N-(3-ethoxyspiro[3.5]nonan-1-yl)morpholine-2-carboxamide;hydrochloride
CID 119805200
N-(3-ethoxyspiro[3.3]heptan-1-yl)morpholine-2-carboxamide
CID 119803513
(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937472
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
CID 119335892
N-(3-ethoxyspiro[3.5]nonan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119335877
N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
N-(3-ethoxyspiro[3.4]octan-1-yl)-2-(methylamino)acetamide
CID 119794737

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide (CID 120934010) is (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide is CCOC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C12CCCC2.
What is the InChIKey of (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide?
The InChIKey is PLUHSTRGVOZNFK-RYSNWHEDSA-N. The full InChI is InChI=1S/C16H28N2O3/c1-3-20-13-10-12(16(13)6-4-5-7-16)18-15(19)14-11(2)21-9-8-17-14/h11-14,17H,3-10H2,1-2H3,(H,18,19)/t11-,12?,13?,14+/m1/s1.
What are the key properties of (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide has a molecular weight of 296.41 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120934010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).