(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride

C9H19ClN2O2 — CID 131067526

IUPAC(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
SMILESCC(C)N(C)C(=O)[C@@H]1CNCCO1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-7(2)11(3)9(12)8-6-10-4-5-13-8;/h7-8,10H,4-6H2,1-3H3;1H/t8-;/m0./s1
InChIKeyRECKATJINAXKQA-QRPNPIFTSA-N
MW222.72 g/mol
LogP0.26
Rot. Bonds2

About (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride

(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride (PubChem CID 131067526) has the molecular formula C9H19ClN2O2 and a molecular weight of 222.72 g/mol. Its IUPAC name is (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
PubChem CID131067526
Molecular FormulaC9H19ClN2O2
Molecular Weight222.72 g/mol
Exact Mass222.11
IUPAC Name(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride
SMILESCC(C)N(C)C(=O)[C@@H]1CNCCO1.Cl
InChIInChI=1S/C9H18N2O2.ClH/c1-7(2)11(3)9(12)8-6-10-4-5-13-8;/h7-8,10H,4-6H2,1-3H3;1H/t8-;/m0./s1
InChIKeyRECKATJINAXKQA-QRPNPIFTSA-N
XLogP0.26
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 50.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-ethylsulfonylpropan-2-yl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119786370
N,N-dimethylmorpholine-2-carboxamide;hydrochloride
CID 71298970
N,N-dimethylmorpholine-2-carboxamide;ethane
CID 144883589
N-(2-hydroxypropyl)-N-methylmorpholine-2-carboxamide
CID 62333960
N-(4-ethylsulfanylbutan-2-yl)-N-methylmorpholine-2-carboxamide
CID 119817492
N-(2,2-difluoroethyl)-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119752897
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084
N-methyl-N-[1-(4-methylsulfinylphenyl)ethyl]morpholine-2-carboxamide
CID 119818195
N-[methoxy(dimethyl)silyl]-N-methylmorpholine-2-carboxamide
CID 69339522
N-methyl-2-morpholin-2-yl-N-propan-2-ylacetamide
CID 66434341
N-[2-[methyl(propan-2-yl)amino]ethyl]morpholine-2-carboxamide
CID 62641152
N-cyclopropyl-N-(3-methylbutyl)morpholine-2-carboxamide;hydrochloride
CID 119728977

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride?
The IUPAC name of (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride (CID 131067526) is (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride.
What is the SMILES notation for (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride?
The canonical SMILES for (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride is CC(C)N(C)C(=O)[C@@H]1CNCCO1.Cl.
What is the InChIKey of (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride?
The InChIKey is RECKATJINAXKQA-QRPNPIFTSA-N. The full InChI is InChI=1S/C9H18N2O2.ClH/c1-7(2)11(3)9(12)8-6-10-4-5-13-8;/h7-8,10H,4-6H2,1-3H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride?
(2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride has a molecular weight of 222.72 g/mol, XLogP of 0.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-propan-2-ylmorpholine-2-carboxamide;hydrochloride is sourced from PubChem (CID 131067526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).