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

C15H28ClN3O3 — CID 120926749

IUPAC(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-11-14(16-9-10-21-11)15(20)17-8-7-13(19)18-12-5-3-2-4-6-12;/h11-12,14,16H,2-10H2,1H3,(H,17,20)(H,18,19);1H/t11-,14+;/m1./s1
InChIKeyFYRIFVNBAMEDLT-GGMFNZDASA-N
MW333.86 g/mol
LogP0.74
Rot. Bonds5

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

(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride (PubChem CID 120926749) has the molecular formula C15H28ClN3O3 and a molecular weight of 333.86 g/mol. Its IUPAC name is (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
PubChem CID120926749
Molecular FormulaC15H28ClN3O3
Molecular Weight333.86 g/mol
Exact Mass333.18
IUPAC Name(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride
SMILESC[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)NC1CCCCC1.Cl
InChIInChI=1S/C15H27N3O3.ClH/c1-11-14(16-9-10-21-11)15(20)17-8-7-13(19)18-12-5-3-2-4-6-12;/h11-12,14,16H,2-10H2,1H3,(H,17,20)(H,18,19);1H/t11-,14+;/m1./s1
InChIKeyFYRIFVNBAMEDLT-GGMFNZDASA-N
XLogP0.74
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.86
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3S)-N-[2-(cyclohexylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120929051
(2R,3S)-N-cyclopentyl-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120917508
(2R,3S)-N-[2-(cyclopropylamino)-2-oxoethyl]-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120919792
(2R,3S)-N-[3-(tert-butylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide
CID 120931039
(2R,3S)-2-methyl-N-(3-oxo-3-piperidin-1-ylpropyl)morpholine-3-carboxamide;hydrochloride
CID 120923595
N-[3-(cyclohexylamino)-3-oxopropyl]morpholine-2-carboxamide;hydrochloride
CID 119741950
(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
N-[3-(cyclohexylamino)-3-oxopropyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119299488
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)-2-methyl-N-[3-oxo-3-(pyridin-4-ylamino)propyl]morpholine-3-carboxamide;dihydrochloride
CID 120940744

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The IUPAC name of (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride (CID 120926749) is (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The canonical SMILES for (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride is C[C@H]1OCCN[C@@H]1C(=O)NCCC(=O)NC1CCCCC1.Cl.
What is the InChIKey of (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
The InChIKey is FYRIFVNBAMEDLT-GGMFNZDASA-N. The full InChI is InChI=1S/C15H27N3O3.ClH/c1-11-14(16-9-10-21-11)15(20)17-8-7-13(19)18-12-5-3-2-4-6-12;/h11-12,14,16H,2-10H2,1H3,(H,17,20)(H,18,19);1H/t11-,14+;/m1./s1.
What are the key properties of (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride?
(2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride has a molecular weight of 333.86 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-N-[3-(cyclohexylamino)-3-oxopropyl]-2-methylmorpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120926749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).