(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride

C13H25ClN2O3 — CID 120927935

IUPAC(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
SMILESCCN(CC1CCCO1)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-3-15(9-11-5-4-7-18-11)13(16)12-10(2)17-8-6-14-12;/h10-12,14H,3-9H2,1-2H3;1H/t10-,11?,12+;/m1./s1
InChIKeyOBTJEKPXDMAMNT-QRVSAPIOSA-N
MW292.81 g/mol
LogP0.81
Rot. Bonds4

About (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride

(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride (PubChem CID 120927935) has the molecular formula C13H25ClN2O3 and a molecular weight of 292.81 g/mol. Its IUPAC name is (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
PubChem CID120927935
Molecular FormulaC13H25ClN2O3
Molecular Weight292.81 g/mol
Exact Mass292.16
IUPAC Name(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride
SMILESCCN(CC1CCCO1)C(=O)[C@H]1NCCO[C@@H]1C.Cl
InChIInChI=1S/C13H24N2O3.ClH/c1-3-15(9-11-5-4-7-18-11)13(16)12-10(2)17-8-6-14-12;/h10-12,14H,3-9H2,1-2H3;1H/t10-,11?,12+;/m1./s1
InChIKeyOBTJEKPXDMAMNT-QRVSAPIOSA-N
XLogP0.81
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide
CID 120927936
(2R,3S)-N-(2-ethoxyethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120928414
(2R,3S)-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-N-ethyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120918609
2-[ethyl(oxolan-2-ylmethyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103978575
(2R,3S)-N-(cyclobutylmethyl)-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120930697
(2R,3S)-N-ethyl-2-methyl-N-(2-phenylethyl)morpholine-3-carboxamide;hydrochloride
CID 120926011
(2R,3S)-N-cyclopentyl-N,2-dimethylmorpholine-3-carboxamide;hydrochloride
CID 120920305
N-ethyl-N-(oxolan-2-ylmethyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119304301
(2S,5R)-5-(aminomethyl)-N-ethyl-N-(oxolan-2-ylmethyl)oxolane-2-carboxamide
CID 120789898
N-ethyl-N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
CID 114908699
(2S)-N,N-bis(oxolan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 61165514
N-ethyl-2,2,2-trifluoro-N-(oxolan-2-ylmethyl)acetamide
CID 62727320

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride (CID 120927935) is (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride is CCN(CC1CCCO1)C(=O)[C@H]1NCCO[C@@H]1C.Cl.
What is the InChIKey of (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride?
The InChIKey is OBTJEKPXDMAMNT-QRVSAPIOSA-N. The full InChI is InChI=1S/C13H24N2O3.ClH/c1-3-15(9-11-5-4-7-18-11)13(16)12-10(2)17-8-6-14-12;/h10-12,14H,3-9H2,1-2H3;1H/t10-,11?,12+;/m1./s1.
What are the key properties of (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride has a molecular weight of 292.81 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-ethyl-2-methyl-N-(oxolan-2-ylmethyl)morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120927935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).