N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride

C12H27Cl2N3O2 — CID 119860535

IUPACN-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C1COCCN1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-4-15(5-2)8-10(3)14-12(16)11-9-17-7-6-13-11;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyCLCJJUBXNZUQEC-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.66
Rot. Bonds6

About N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride

N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride (PubChem CID 119860535) has the molecular formula C12H27Cl2N3O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
PubChem CID119860535
Molecular FormulaC12H27Cl2N3O2
Molecular Weight316.27 g/mol
Exact Mass315.15
IUPAC NameN-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride
SMILESCCN(CC)CC(C)NC(=O)C1COCCN1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-4-15(5-2)8-10(3)14-12(16)11-9-17-7-6-13-11;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H
InChIKeyCLCJJUBXNZUQEC-UHFFFAOYSA-N
XLogP0.66
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-aminopropan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 130674305
N-[(2R)-1-hydroxypropan-2-yl]morpholine-3-carboxamide
CID 107218691
N-(4-hydroxybutan-2-yl)morpholine-3-carboxamide
CID 83177558
N-[1-(diethylamino)propan-2-yl]piperidine-2-carboxamide;dihydrochloride
CID 119860546
N-[1-(diethylamino)propan-2-yl]thiomorpholine-3-carboxamide
CID 82909094
(3R)-N-ethylmorpholine-3-carboxamide
CID 96578732
N-[1-(4-tert-butylphenoxy)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119744122
N-[1-(5-methylthiophen-2-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119796716
methyl 2-(morpholine-3-carbonylamino)butanoate
CID 119709002
N-(1-cyclohexylethyl)morpholine-3-carboxamide;hydrochloride
CID 119705705
N-[1-(2-oxopyrrolidin-1-yl)propan-2-yl]morpholine-3-carboxamide;hydrochloride
CID 119740516
4-amino-N-[1-(diethylamino)propan-2-yl]oxolane-3-carboxamide
CID 66237288

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride (CID 119860535) is N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride is CCN(CC)CC(C)NC(=O)C1COCCN1.Cl.Cl.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride?
The InChIKey is CLCJJUBXNZUQEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.2ClH/c1-4-15(5-2)8-10(3)14-12(16)11-9-17-7-6-13-11;;/h10-11,13H,4-9H2,1-3H3,(H,14,16);2*1H.
What are the key properties of N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride?
N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride has a molecular weight of 316.27 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]morpholine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119860535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).