(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide

C14H26N2O2 — CID 120921594

IUPAC(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-10(12-6-4-3-5-7-12)16-14(17)13-11(2)18-9-8-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,13+/m1/s1
InChIKeyHHMSASVNKQTCPR-ZNVNOEFISA-N
MW254.37 g/mol
LogP1.45
Rot. Bonds3

About (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide

(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide (PubChem CID 120921594) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide.

Molecular Properties

Compound Name(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
PubChem CID120921594
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)C1CCCCC1
InChIInChI=1S/C14H26N2O2/c1-10(12-6-4-3-5-7-12)16-14(17)13-11(2)18-9-8-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,13+/m1/s1
InChIKeyHHMSASVNKQTCPR-ZNVNOEFISA-N
XLogP1.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 120933426
(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120931925
(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
(2R,3S)-N-[2-cyclohexyl-2-(dimethylamino)ethyl]-2-methylmorpholine-3-carboxamide;dihydrochloride
CID 120939169
N-(1-cyclohexylethyl)morpholine-3-carboxamide;hydrochloride
CID 119705705
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120926749
2-[[(1R)-1-cyclohexylethyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 81387173
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide?
The IUPAC name of (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide (CID 120921594) is (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide.
What is the SMILES notation for (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide?
The canonical SMILES for (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide is CC(NC(=O)[C@H]1NCCO[C@@H]1C)C1CCCCC1.
What is the InChIKey of (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide?
The InChIKey is HHMSASVNKQTCPR-ZNVNOEFISA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10(12-6-4-3-5-7-12)16-14(17)13-11(2)18-9-8-15-13/h10-13,15H,3-9H2,1-2H3,(H,16,17)/t10?,11-,13+/m1/s1.
What are the key properties of (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide?
(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide has a molecular weight of 254.37 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide is sourced from PubChem (CID 120921594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).