(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C17H27ClN2O4 — CID 120925471

IUPAC(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-5-22-14-7-6-13(10-15(14)21-4)11(2)19-17(20)16-12(3)23-9-8-18-16;/h6-7,10-12,16,18H,5,8-9H2,1-4H3,(H,19,20);1H/t11?,12-,16+;/m1./s1
InChIKeyVQXKYKDZADPXKY-ZVXYTEPESA-N
MW358.87 g/mol
LogP2.07
Rot. Bonds6

About (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120925471) has the molecular formula C17H27ClN2O4 and a molecular weight of 358.87 g/mol. Its IUPAC name is (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120925471
Molecular FormulaC17H27ClN2O4
Molecular Weight358.87 g/mol
Exact Mass358.17
IUPAC Name(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESCCOc1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.Cl
InChIInChI=1S/C17H26N2O4.ClH/c1-5-22-14-7-6-13(10-15(14)21-4)11(2)19-17(20)16-12(3)23-9-8-18-16;/h6-7,10-12,16,18H,5,8-9H2,1-4H3,(H,19,20);1H/t11?,12-,16+;/m1./s1
InChIKeyVQXKYKDZADPXKY-ZVXYTEPESA-N
XLogP2.07
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]cyclobutanecarboxamide
CID 42958517
(2R,3S)-2-methyl-N-[1-(4-propoxyphenyl)ethyl]morpholine-3-carboxamide
CID 120923306
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
2-[1-(3,4-diethoxyphenyl)ethylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119181484
(2R,3S)-N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120935110
trans-(1R,2R)-2-[[(1S)-1-(3-methoxy-4-propoxyphenyl)ethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 124857094
N-[1-(3,4-diethoxyphenyl)ethyl]piperidine-2-carboxamide;hydrochloride
CID 119267767
(2R,3S)-N-[1-[4-(carbamoylamino)phenyl]ethyl]-2-methylmorpholine-3-carboxamide
CID 120924044
(2R,3S)-N-(4-ethoxy-3-fluorophenyl)-2-methylmorpholine-3-carboxamide
CID 120926803
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 119294139
(2R,3S)-N-[1-(2,4-difluorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918983
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120925471) is (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is CCOc1ccc(C(C)NC(=O)[C@H]2NCCO[C@@H]2C)cc1OC.Cl.
What is the InChIKey of (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is VQXKYKDZADPXKY-ZVXYTEPESA-N. The full InChI is InChI=1S/C17H26N2O4.ClH/c1-5-22-14-7-6-13(10-15(14)21-4)11(2)19-17(20)16-12(3)23-9-8-18-16;/h6-7,10-12,16,18H,5,8-9H2,1-4H3,(H,19,20);1H/t11?,12-,16+;/m1./s1.
What are the key properties of (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 358.87 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120925471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).