(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride

C17H27ClN2O2 — CID 120928659

IUPAC(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12-7-5-6-8-14(12)17(3,4)11-19-16(20)15-13(2)21-10-9-18-15;/h5-8,13,15,18H,9-11H2,1-4H3,(H,19,20);1H/t13-,15+;/m1./s1
InChIKeyDDEYMOJIFPMPGP-PBCQUBLHSA-N
MW326.87 g/mol
LogP2.19
Rot. Bonds4

About (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride

(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 120928659) has the molecular formula C17H27ClN2O2 and a molecular weight of 326.87 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
PubChem CID120928659
Molecular FormulaC17H27ClN2O2
Molecular Weight326.87 g/mol
Exact Mass326.18
IUPAC Name(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride
SMILESCc1ccccc1C(C)(C)CNC(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C17H26N2O2.ClH/c1-12-7-5-6-8-14(12)17(3,4)11-19-16(20)15-13(2)21-10-9-18-15;/h5-8,13,15,18H,9-11H2,1-4H3,(H,19,20);1H/t13-,15+;/m1./s1
InChIKeyDDEYMOJIFPMPGP-PBCQUBLHSA-N
XLogP2.19
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-2-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]morpholine-3-carboxamide;hydrochloride
CID 120921553
(2R,3S)-N-benzyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120916874
(2R,3S)-2-methyl-N-[2-(2-methylphenoxy)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120926955
(2R,3S)-N-[2-hydroxy-2-(2-methylphenyl)ethyl]-2-methylmorpholine-3-carboxamide
CID 120932523
(2R,3S)-N-(2,2-diethylbutyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120937480
(2R,3S)-N-[[2-(dimethylamino)phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120940688
N-[2-methyl-2-(2-methylphenyl)propyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119756911
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120938228
(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
CID 120928521
(2R,3S)-2-methyl-N-[2-(3-methylphenyl)ethyl]morpholine-3-carboxamide;hydrochloride
CID 120927296
(2R,3S)-N-[2-(2-chlorophenyl)ethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120921534

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride (CID 120928659) is (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride is Cc1ccccc1C(C)(C)CNC(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is DDEYMOJIFPMPGP-PBCQUBLHSA-N. The full InChI is InChI=1S/C17H26N2O2.ClH/c1-12-7-5-6-8-14(12)17(3,4)11-19-16(20)15-13(2)21-10-9-18-15;/h5-8,13,15,18H,9-11H2,1-4H3,(H,19,20);1H/t13-,15+;/m1./s1.
What are the key properties of (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride?
(2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 326.87 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-[2-methyl-2-(2-methylphenyl)propyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120928659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).