butane;N-methylmorpholine-4-carboxamide;propane

C13H30N2O2 — CID 143336598

IUPACbutane;N-methylmorpholine-4-carboxamide;propane
SMILESCCC.CCCC.CNC(=O)N1CCOCC1
InChIInChI=1S/C6H12N2O2.C4H10.C3H8/c1-7-6(9)8-2-4-10-5-3-8;1-3-4-2;1-3-2/h2-5H2,1H3,(H,7,9);3-4H2,1-2H3;3H2,1-2H3
InChIKeyJTSICDZHCYYXJG-UHFFFAOYSA-N
MW246.39 g/mol
LogP2.88
Rot. Bonds1

About butane;N-methylmorpholine-4-carboxamide;propane

butane;N-methylmorpholine-4-carboxamide;propane (PubChem CID 143336598) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is butane;N-methylmorpholine-4-carboxamide;propane.

Molecular Properties

Compound Namebutane;N-methylmorpholine-4-carboxamide;propane
PubChem CID143336598
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Namebutane;N-methylmorpholine-4-carboxamide;propane
SMILESCCC.CCCC.CNC(=O)N1CCOCC1
InChIInChI=1S/C6H12N2O2.C4H10.C3H8/c1-7-6(9)8-2-4-10-5-3-8;1-3-4-2;1-3-2/h2-5H2,1H3,(H,7,9);3-4H2,1-2H3;3H2,1-2H3
InChIKeyJTSICDZHCYYXJG-UHFFFAOYSA-N
XLogP2.88
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propylmorpholine-4-carboxamide
CID 3410822
N-[2-(methylamino)-2-oxoethyl]morpholine-4-carboxamide
CID 115575285
diethyl 2-(morpholine-4-carbonylamino)propanedioate
CID 79151888
N-acetylmorpholine-4-carboxamide
CID 102407930
N-methyl-2-morpholin-4-yl-2-oxoacetamide
CID 22032272
6-hydroxy-N-methyl-1,4-oxazepane-4-carboxamide
CID 131062493
N-[(2R)-octan-2-yl]morpholine-4-carboxamide
CID 7815302
N-propan-2-ylmorpholine-4-carboxamide
CID 3411412
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]morpholine-4-carboxamide
CID 103749296
6,6-difluoro-N-methyl-1,4-oxazepane-4-carboxamide
CID 131159734
2-(morpholine-4-carbonylamino)butanoic acid
CID 61187325
morpholine-4-carbohydrazide;hydrochloride
CID 138112583

Frequently Asked Questions

What is the IUPAC name of butane;N-methylmorpholine-4-carboxamide;propane?
The IUPAC name of butane;N-methylmorpholine-4-carboxamide;propane (CID 143336598) is butane;N-methylmorpholine-4-carboxamide;propane.
What is the SMILES notation for butane;N-methylmorpholine-4-carboxamide;propane?
The canonical SMILES for butane;N-methylmorpholine-4-carboxamide;propane is CCC.CCCC.CNC(=O)N1CCOCC1.
What is the InChIKey of butane;N-methylmorpholine-4-carboxamide;propane?
The InChIKey is JTSICDZHCYYXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2.C4H10.C3H8/c1-7-6(9)8-2-4-10-5-3-8;1-3-4-2;1-3-2/h2-5H2,1H3,(H,7,9);3-4H2,1-2H3;3H2,1-2H3.
What are the key properties of butane;N-methylmorpholine-4-carboxamide;propane?
butane;N-methylmorpholine-4-carboxamide;propane has a molecular weight of 246.39 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;N-methylmorpholine-4-carboxamide;propane is sourced from PubChem (CID 143336598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).