(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide

C16H24N2O3 — CID 120923560

IUPAC(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C16H24N2O3/c1-3-20-11-14-7-5-4-6-13(14)10-18-16(19)15-12(2)21-9-8-17-15/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyNQNUUSGMXXNNNO-DOMZBBRYSA-N
MW292.38 g/mol
LogP1.22
Rot. Bonds6

About (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120923560) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120923560
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
SMILESCCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C
InChIInChI=1S/C16H24N2O3/c1-3-20-11-14-7-5-4-6-13(14)10-18-16(19)15-12(2)21-9-8-17-15/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,18,19)/t12-,15+/m1/s1
InChIKeyNQNUUSGMXXNNNO-DOMZBBRYSA-N
XLogP1.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[[2-(propoxymethyl)phenyl]methyl]morpholine-3-carboxamide
CID 120925723
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120920803
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[[3-(phenylmethoxymethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120923523
(2R,3S)-N-(1,3-benzodioxol-4-ylmethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926614
(2R)-N-[[2-(ethoxymethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 103795112
(2R,3S)-2-methyl-N-(2-phenylmethoxyethyl)morpholine-3-carboxamide
CID 120930614
(2R,3S)-2-methyl-N-[(4-phenylmethoxyphenyl)methyl]morpholine-3-carboxamide
CID 120922641
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120923132

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide (CID 120923560) is (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide is CCOCc1ccccc1CNC(=O)[C@H]1NCCO[C@@H]1C.
What is the InChIKey of (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is NQNUUSGMXXNNNO-DOMZBBRYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-20-11-14-7-5-4-6-13(14)10-18-16(19)15-12(2)21-9-8-17-15/h4-7,12,15,17H,3,8-11H2,1-2H3,(H,18,19)/t12-,15+/m1/s1.
What are the key properties of (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 1.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120923560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).