(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

C17H31ClN2O3 — CID 120935270

IUPAC(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C12CCCCC2.Cl
InChIInChI=1S/C17H30N2O3.ClH/c1-3-21-14-11-13(17(14)7-5-4-6-8-17)19-16(20)15-12(2)22-10-9-18-15;/h12-15,18H,3-11H2,1-2H3,(H,19,20);1H/t12-,13?,14?,15+;/m1./s1
InChIKeyMLTFWWSXQLCUHG-UPYSGOMLSA-N
MW346.90 g/mol
LogP2.03
Rot. Bonds4

About (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120935270) has the molecular formula C17H31ClN2O3 and a molecular weight of 346.90 g/mol. Its IUPAC name is (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120935270
Molecular FormulaC17H31ClN2O3
Molecular Weight346.90 g/mol
Exact Mass346.20
IUPAC Name(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C12CCCCC2.Cl
InChIInChI=1S/C17H30N2O3.ClH/c1-3-21-14-11-13(17(14)7-5-4-6-8-17)19-16(20)15-12(2)22-10-9-18-15;/h12-15,18H,3-11H2,1-2H3,(H,19,20);1H/t12-,13?,14?,15+;/m1./s1
InChIKeyMLTFWWSXQLCUHG-UPYSGOMLSA-N
XLogP2.03
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride with MolForge

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Related Compounds

(2R,3S)-N-(3-ethoxyspiro[3.4]octan-1-yl)-2-methylmorpholine-3-carboxamide
CID 120934010
N-(3-ethoxyspiro[3.5]nonan-1-yl)morpholine-2-carboxamide;hydrochloride
CID 119805200
N-(3-ethoxyspiro[3.5]nonan-1-yl)morpholine-2-carboxamide
CID 119805201
(2R,3S)-N-(2,2-diethyl-3-methoxycyclobutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937472
N-(3-ethoxyspiro[3.5]nonan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119335877
N-(3-ethoxyspiro[3.5]nonan-1-yl)pyrrolidine-2-carboxamide
CID 119335892
N-(3-ethoxyspiro[3.3]heptan-1-yl)morpholine-2-carboxamide
CID 119803513
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
(2S)-2-amino-N-(3-ethoxyspiro[3.5]nonan-1-yl)propanamide
CID 119335880
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)propanamide;hydrochloride
CID 119329855

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120935270) is (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is CCOC1CC(NC(=O)[C@H]2NCCO[C@@H]2C)C12CCCCC2.Cl.
What is the InChIKey of (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is MLTFWWSXQLCUHG-UPYSGOMLSA-N. The full InChI is InChI=1S/C17H30N2O3.ClH/c1-3-21-14-11-13(17(14)7-5-4-6-8-17)19-16(20)15-12(2)22-10-9-18-15;/h12-15,18H,3-11H2,1-2H3,(H,19,20);1H/t12-,13?,14?,15+;/m1./s1.
What are the key properties of (2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 2.03, 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[3.5]nonan-1-yl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120935270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).