(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C15H23ClN2O4 — CID 120919950

IUPAC(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCNC(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-11-14(16-7-9-20-11)15(18)17-8-10-21-13-5-3-12(19-2)4-6-13;/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18);1H/t11-,14+;/m1./s1
InChIKeyNSKLSSSAJRDLKF-GGMFNZDASA-N
MW330.81 g/mol
LogP0.99
Rot. Bonds6

About (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120919950) has the molecular formula C15H23ClN2O4 and a molecular weight of 330.81 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120919950
Molecular FormulaC15H23ClN2O4
Molecular Weight330.81 g/mol
Exact Mass330.13
IUPAC Name(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCOc1ccc(OCCNC(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C15H22N2O4.ClH/c1-11-14(16-7-9-20-11)15(18)17-8-10-21-13-5-3-12(19-2)4-6-13;/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18);1H/t11-,14+;/m1./s1
InChIKeyNSKLSSSAJRDLKF-GGMFNZDASA-N
XLogP0.99
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.81
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919449
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
(2R,3S)-N-[2-(3,5-dimethylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120927464
(2R,3S)-N-[2-(1,3-benzodioxol-5-yloxy)ethyl]-2-methylmorpholine-3-carboxamide
CID 120925919
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
N-[2-(4-methoxyphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 119694151
(2R,3S)-N-[(2-bromo-5-methoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926162
(2R,3S)-N-[[4-(4-methoxyphenyl)oxan-4-yl]methyl]-2-methylmorpholine-3-carboxamide
CID 120927845
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-N-[4-(3-amino-3-oxopropoxy)phenyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120925642
(2R,3S)-N-[2-[(3,5-dichloro-2-pyridinyl)oxy]ethyl]-2-methylmorpholine-3-carboxamide
CID 120942859

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120919950) is (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is COc1ccc(OCCNC(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is NSKLSSSAJRDLKF-GGMFNZDASA-N. The full InChI is InChI=1S/C15H22N2O4.ClH/c1-11-14(16-7-9-20-11)15(18)17-8-10-21-13-5-3-12(19-2)4-6-13;/h3-6,11,14,16H,7-10H2,1-2H3,(H,17,18);1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 330.81 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120919950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).