(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride

C18H29ClN2O2 — CID 120931120

IUPAC(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14-16(19-10-11-22-14)17(21)20(13-18(2,3)4)12-15-8-6-5-7-9-15;/h5-9,14,16,19H,10-13H2,1-4H3;1H/t14-,16+;/m1./s1
InChIKeyAOVNHQSWSWBZGY-XMZRARIVSA-N
MW340.89 g/mol
LogP2.86
Rot. Bonds4

About (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120931120) has the molecular formula C18H29ClN2O2 and a molecular weight of 340.89 g/mol. Its IUPAC name is (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120931120
Molecular FormulaC18H29ClN2O2
Molecular Weight340.89 g/mol
Exact Mass340.19
IUPAC Name(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C.Cl
InChIInChI=1S/C18H28N2O2.ClH/c1-14-16(19-10-11-22-14)17(21)20(13-18(2,3)4)12-15-8-6-5-7-9-15;/h5-9,14,16,19H,10-13H2,1-4H3;1H/t14-,16+;/m1./s1
InChIKeyAOVNHQSWSWBZGY-XMZRARIVSA-N
XLogP2.86
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.89
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
(2R,3S)-N,2-dimethyl-N-[(4-methylphenyl)methyl]morpholine-3-carboxamide;hydrochloride
CID 120918446
(2R,3S)-N-[(2-chlorophenyl)methyl]-N-ethyl-2-methylmorpholine-3-carboxamide
CID 120924212
(2R,3S)-N,2-dimethyl-N-[(3-methylphenyl)methyl]morpholine-3-carboxamide
CID 120923405
(2R,3S)-N-[(2-bromophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120918331
(2R,3S)-2-methyl-N-(4-methyl-4-phenylpentan-2-yl)morpholine-3-carboxamide
CID 120928521
N,N-dibenzyl-3-methylpiperidine-2-carboxamide
CID 130158118
(2R,3S)-N-[(2-fluorophenyl)methyl]-N,2-dimethylmorpholine-3-carboxamide
CID 120918482
N-benzyl-N-(2-hydroxy-2-methylpropyl)-2-methyloxane-3-carboxamide
CID 129000788
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
(2R,3S)-N-(1-benzyl-2-methylpiperidin-4-yl)-N,2-dimethylmorpholine-3-carboxamide
CID 120941555
(2R,3S)-N,2-dimethyl-N-[(4-methylsulfonylphenyl)methyl]morpholine-3-carboxamide
CID 120934519

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120931120) is (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)N(Cc1ccccc1)CC(C)(C)C.Cl.
What is the InChIKey of (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is AOVNHQSWSWBZGY-XMZRARIVSA-N. The full InChI is InChI=1S/C18H28N2O2.ClH/c1-14-16(19-10-11-22-14)17(21)20(13-18(2,3)4)12-15-8-6-5-7-9-15;/h5-9,14,16,19H,10-13H2,1-4H3;1H/t14-,16+;/m1./s1.
What are the key properties of (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 340.89 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-benzyl-N-(2,2-dimethylpropyl)-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120931120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).