(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

C14H26ClN3O3 — CID 120929051

IUPAC(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C14H25N3O3.ClH/c1-10-13(15-7-8-20-10)14(19)16-9-12(18)17-11-5-3-2-4-6-11;/h10-11,13,15H,2-9H2,1H3,(H,16,19)(H,17,18);1H/t10-,13+;/m1./s1
InChIKeyXHXOTDJPIOZUMR-HTKOBJQYSA-N
MW319.83 g/mol
LogP0.35
Rot. Bonds4

About (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride

(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120929051) has the molecular formula C14H26ClN3O3 and a molecular weight of 319.83 g/mol. Its IUPAC name is (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120929051
Molecular FormulaC14H26ClN3O3
Molecular Weight319.83 g/mol
Exact Mass319.17
IUPAC Name(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C14H25N3O3.ClH/c1-10-13(15-7-8-20-10)14(19)16-9-12(18)17-11-5-3-2-4-6-11;/h10-11,13,15H,2-9H2,1H3,(H,16,19)(H,17,18);1H/t10-,13+;/m1./s1
InChIKeyXHXOTDJPIOZUMR-HTKOBJQYSA-N
XLogP0.35
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-2-methyl-N-[2-oxo-2-(propylamino)ethyl]morpholine-3-carboxamide
CID 120919423
N-ethyl-2-methylmorpholine-3-carboxamide
CID 131071311
(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939169
(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
CID 120921594
(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794
(2R,3S)-N-[2-[cyclohexyl(methyl)amino]ethyl]-2-methylmorpholine-3-carboxamide
CID 120939245
(2R,3S)-N-(2-aminoethyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 131186208
(2R,3S)-N-[2-(4-bromoanilino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926240
(2R,3S)-2-methyl-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]morpholine-3-carboxamide;dihydrochloride
CID 120939379

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120929051) is (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is XHXOTDJPIOZUMR-HTKOBJQYSA-N. The full InChI is InChI=1S/C14H25N3O3.ClH/c1-10-13(15-7-8-20-10)14(19)16-9-12(18)17-11-5-3-2-4-6-11;/h10-11,13,15H,2-9H2,1H3,(H,16,19)(H,17,18);1H/t10-,13+;/m1./s1.
What are the key properties of (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 0.35, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120929051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).