(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride

C16H25ClN2O3 — CID 120920116

IUPAC(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(OCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-4-6-14(7-5-12)21-11-9-18(3)16(19)15-13(2)20-10-8-17-15;/h4-7,13,15,17H,8-11H2,1-3H3;1H/t13-,15+;/m1./s1
InChIKeyHFNFLSZSYQHSSY-PBCQUBLHSA-N
MW328.84 g/mol
LogP1.63
Rot. Bonds5

About (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120920116) has the molecular formula C16H25ClN2O3 and a molecular weight of 328.84 g/mol. Its IUPAC name is (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120920116
Molecular FormulaC16H25ClN2O3
Molecular Weight328.84 g/mol
Exact Mass328.16
IUPAC Name(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccc(OCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl
InChIInChI=1S/C16H24N2O3.ClH/c1-12-4-6-14(7-5-12)21-11-9-18(3)16(19)15-13(2)20-10-8-17-15;/h4-7,13,15,17H,8-11H2,1-3H3;1H/t13-,15+;/m1./s1
InChIKeyHFNFLSZSYQHSSY-PBCQUBLHSA-N
XLogP1.63
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(4-fluorophenoxy)ethyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920100
(2R,3S)-N,2-dimethyl-N-(2-phenoxyethyl)morpholine-3-carboxamide;hydrochloride
CID 120918304
(2R,3S)-N,2-dimethyl-N-[2-(3-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920159
(2R,3S)-N,2-dimethyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide
CID 120920151
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N,2-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]morpholine-3-carboxamide
CID 120935535
(2R,3S)-N-[(4-methoxyphenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918260
N-methyl-N-[2-(4-methylphenoxy)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274400
(2R,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120919622
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
(2S,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 51866938
(2R,3S)-N-[2-(4-methoxyphenoxy)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919950

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride (CID 120920116) is (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride is Cc1ccc(OCCN(C)C(=O)[C@H]2NCCO[C@@H]2C)cc1.Cl.
What is the InChIKey of (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is HFNFLSZSYQHSSY-PBCQUBLHSA-N. The full InChI is InChI=1S/C16H24N2O3.ClH/c1-12-4-6-14(7-5-12)21-11-9-18(3)16(19)15-13(2)20-10-8-17-15;/h4-7,13,15,17H,8-11H2,1-3H3;1H/t13-,15+;/m1./s1.
What are the key properties of (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N,2-dimethyl-N-[2-(4-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120920116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).