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

C18H29ClN2O3 — CID 120919449

IUPAC(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-16(19-9-11-22-13)17(21)20-10-12-23-15-7-5-14(6-8-15)18(2,3)4;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21);1H/t13-,16+;/m1./s1
InChIKeyJMWNYEHRLNDARX-CACIRBSMSA-N
MW356.89 g/mol
LogP2.28
Rot. Bonds5

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

(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120919449) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120919449
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc(C(C)(C)C)cc1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-13-16(19-9-11-22-13)17(21)20-10-12-23-15-7-5-14(6-8-15)18(2,3)4;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21);1H/t13-,16+;/m1./s1
InChIKeyJMWNYEHRLNDARX-CACIRBSMSA-N
XLogP2.28
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(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
(2R,3S)-N-[2-[(4-methoxybenzoyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120923637
(2S,4S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylpiperidine-4-carboxamide
CID 120618324
(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
(2R,3S)-N-[2-(cyclopropylmethoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928483
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
2-[2-(4-tert-butylphenoxy)ethylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120974527

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120919449) is (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCOc1ccc(C(C)(C)C)cc1.Cl.
What is the InChIKey of (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is JMWNYEHRLNDARX-CACIRBSMSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-13-16(19-9-11-22-13)17(21)20-10-12-23-15-7-5-14(6-8-15)18(2,3)4;/h5-8,13,16,19H,9-12H2,1-4H3,(H,20,21);1H/t13-,16+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(4-tert-butylphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120919449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).