(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide

C15H22N2O2 — CID 120923132

IUPAC(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-4-5-13(11(2)8-10)9-17-15(18)14-12(3)19-7-6-16-14/h4-5,8,12,14,16H,6-7,9H2,1-3H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyFGLYKRSVZQOPFV-OCCSQVGLSA-N
MW262.35 g/mol
LogP1.30
Rot. Bonds3

About (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide

(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide (PubChem CID 120923132) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
PubChem CID120923132
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide
SMILESCc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(C)c1
InChIInChI=1S/C15H22N2O2/c1-10-4-5-13(11(2)8-10)9-17-15(18)14-12(3)19-7-6-16-14/h4-5,8,12,14,16H,6-7,9H2,1-3H3,(H,17,18)/t12-,14+/m1/s1
InChIKeyFGLYKRSVZQOPFV-OCCSQVGLSA-N
XLogP1.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-2-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide
CID 120936172
(2R,3S)-2-methyl-N-[[4-methyl-2-(oxolan-3-ylmethoxy)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120936179
(2R,3S)-N-[(2,4-dimethoxyphenyl)methyl]-2-methylmorpholine-3-carboxamide
CID 120921508
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
(2R,3S)-N-[(4-bromo-2,6-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928973
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-2-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120928446
(2R,3S)-N-[[3-(hydroxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120931249
(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-[[2-(ethoxymethyl)phenyl]methyl]-2-methylmorpholine-3-carboxamide
CID 120923560

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide (CID 120923132) is (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide is Cc1ccc(CNC(=O)[C@H]2NCCO[C@@H]2C)c(C)c1.
What is the InChIKey of (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
The InChIKey is FGLYKRSVZQOPFV-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-10-4-5-13(11(2)8-10)9-17-15(18)14-12(3)19-7-6-16-14/h4-5,8,12,14,16H,6-7,9H2,1-3H3,(H,17,18)/t12-,14+/m1/s1.
What are the key properties of (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 1.30, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[(2,4-dimethylphenyl)methyl]-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120923132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).