(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide

C15H20N2O5 — CID 120925919

IUPAC(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O5/c1-10-14(16-4-6-19-10)15(18)17-5-7-20-11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10,14,16H,4-7,9H2,1H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyPKAGWHWNYXCGLN-YGRLFVJLSA-N
MW308.33 g/mol
LogP0.29
Rot. Bonds5

About (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120925919) has the molecular formula C15H20N2O5 and a molecular weight of 308.33 g/mol. Its IUPAC name is (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
PubChem CID120925919
Molecular FormulaC15H20N2O5
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc2c(c1)OCO2
InChIInChI=1S/C15H20N2O5/c1-10-14(16-4-6-19-10)15(18)17-5-7-20-11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10,14,16H,4-7,9H2,1H3,(H,17,18)/t10-,14+/m1/s1
InChIKeyPKAGWHWNYXCGLN-YGRLFVJLSA-N
XLogP0.29
TPSA78.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919449
(2R,3S)-N-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918311
trans-(1R,2R)-2-[2-(1,3-benzodioxol-5-yloxy)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 125119800
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
CID 120942859
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
ethyl N-[2-(1,3-benzodioxol-5-yloxy)ethyl]carbamate
CID 113101754
(2R,3S)-N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120932530
N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119735550

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide (CID 120925919) is (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide is C[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc2c(c1)OCO2.
What is the InChIKey of (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is PKAGWHWNYXCGLN-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H20N2O5/c1-10-14(16-4-6-19-10)15(18)17-5-7-20-11-2-3-12-13(8-11)22-9-21-12/h2-3,8,10,14,16H,4-7,9H2,1H3,(H,17,18)/t10-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 308.33 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120925919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).