(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide

C15H22N2O3 — CID 120930391

IUPAC(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESCOC(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C15H22N2O3/c1-10(19-3)12-5-4-6-13(9-12)17-15(18)14-11(2)20-8-7-16-14/h4-6,9-11,14,16H,7-8H2,1-3H3,(H,17,18)/t10?,11-,14+/m1/s1
InChIKeyCKUCPCUBIGWNED-DRKXBUQZSA-N
MW278.35 g/mol
LogP1.71
Rot. Bonds4

About (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120930391) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
PubChem CID120930391
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide
SMILESCOC(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1
InChIInChI=1S/C15H22N2O3/c1-10(19-3)12-5-4-6-13(9-12)17-15(18)14-11(2)20-8-7-16-14/h4-6,9-11,14,16H,7-8H2,1-3H3,(H,17,18)/t10?,11-,14+/m1/s1
InChIKeyCKUCPCUBIGWNED-DRKXBUQZSA-N
XLogP1.71
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-2-methyl-N-[3-[methyl(propan-2-yl)amino]phenyl]morpholine-3-carboxamide
CID 120941563
(2R,3S)-2-methyl-N-[3-(trifluoromethoxy)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120921232
(2R,3S)-N-[3-[acetyl(methyl)amino]phenyl]-2-methylmorpholine-3-carboxamide
CID 120934367
(2R,3S)-N-(3-chloro-4-methoxyphenyl)-2-methylmorpholine-3-carboxamide
CID 120917710
(2R,3S)-2-methyl-N-(3-nitrophenyl)morpholine-3-carboxamide
CID 120917022
(2R,3S)-2-methyl-N-[3-(trifluoromethyl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 120917101
(2R,3S)-N-[3-(1,3-dithiolan-2-yl)phenyl]-2-methylmorpholine-3-carboxamide
CID 120919732
(2R,3S)-2-methyl-N-[3-(methylsulfonylmethyl)phenyl]morpholine-3-carboxamide
CID 120928654
(2R,3S)-N-(4-acetamidophenyl)-2-methylmorpholine-3-carboxamide
CID 120916743
(2R,3S)-2-methyl-N-(3-methyl-4-propan-2-yloxyphenyl)morpholine-3-carboxamide;hydrochloride
CID 120934935
(2R,3S)-2-methyl-N-[4-methyl-3-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120931980
(2R,3S)-2-methyl-N-[4-(propan-2-ylcarbamoyl)phenyl]morpholine-3-carboxamide
CID 120926510

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide (CID 120930391) is (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide is COC(C)c1cccc(NC(=O)[C@H]2NCCO[C@@H]2C)c1.
What is the InChIKey of (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is CKUCPCUBIGWNED-DRKXBUQZSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10(19-3)12-5-4-6-13(9-12)17-15(18)14-11(2)20-8-7-16-14/h4-6,9-11,14,16H,7-8H2,1-3H3,(H,17,18)/t10?,11-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 278.35 g/mol, XLogP of 1.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(1-methoxyethyl)phenyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120930391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).