(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride

C14H29Cl2N3O3 — CID 120941175

IUPAC(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)C(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-10(11(2)17-5-8-19-9-6-17)16-14(18)13-12(3)20-7-4-15-13;;/h10-13,15H,4-9H2,1-3H3,(H,16,18);2*1H/t10?,11?,12-,13+;;/m1../s1
InChIKeyRZZXWDLINZMIFF-VOMZVMMNSA-N
MW358.31 g/mol
LogP0.43
Rot. Bonds4

About (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride

(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride (PubChem CID 120941175) has the molecular formula C14H29Cl2N3O3 and a molecular weight of 358.31 g/mol. Its IUPAC name is (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride
PubChem CID120941175
Molecular FormulaC14H29Cl2N3O3
Molecular Weight358.31 g/mol
Exact Mass357.16
IUPAC Name(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride
SMILESCC(NC(=O)[C@H]1NCCO[C@@H]1C)C(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C14H27N3O3.2ClH/c1-10(11(2)17-5-8-19-9-6-17)16-14(18)13-12(3)20-7-4-15-13;;/h10-13,15H,4-9H2,1-3H3,(H,16,18);2*1H/t10?,11?,12-,13+;;/m1../s1
InChIKeyRZZXWDLINZMIFF-VOMZVMMNSA-N
XLogP0.43
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.31
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride with MolForge

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Related Compounds

N-butan-2-yl-2-methylmorpholine-3-carboxamide
CID 130647463
(2R,3S)-N-(3-cyclohexylbutan-2-yl)-2-methylmorpholine-3-carboxamide
CID 120935794
(2R,3S)-2-methyl-N-[(2S)-1-oxo-1-piperidin-1-ylpropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 120931925
(2S)-N-(3-morpholin-4-ylbutan-2-yl)pyrrolidine-2-carboxamide
CID 122081539
(2R,3S)-2-methyl-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]morpholine-3-carboxamide
CID 120933426
(2R,3S)-N-(1-cyclohexylethyl)-2-methylmorpholine-3-carboxamide
CID 120921594
N,2-dimethylmorpholine-3-carboxamide
CID 131024914
(2R,3S)-N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-methylmorpholine-3-carboxamide
CID 120937874
(2R,3S)-2-methyl-N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]morpholine-3-carboxamide
CID 120939770
methyl 3-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate
CID 120920090
(2R,3S)-2-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]morpholine-3-carboxamide
CID 120918965
methyl 2-[[(2R,3S)-2-methylmorpholine-3-carbonyl]amino]butanoate;hydrochloride
CID 120922192

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride (CID 120941175) is (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride is CC(NC(=O)[C@H]1NCCO[C@@H]1C)C(C)N1CCOCC1.Cl.Cl.
What is the InChIKey of (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride?
The InChIKey is RZZXWDLINZMIFF-VOMZVMMNSA-N. The full InChI is InChI=1S/C14H27N3O3.2ClH/c1-10(11(2)17-5-8-19-9-6-17)16-14(18)13-12(3)20-7-4-15-13;;/h10-13,15H,4-9H2,1-3H3,(H,16,18);2*1H/t10?,11?,12-,13+;;/m1../s1.
What are the key properties of (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride?
(2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride has a molecular weight of 358.31 g/mol, XLogP of 0.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-methyl-N-(3-morpholin-4-ylbutan-2-yl)morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120941175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).