4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride

C12H27Cl2N3O2 — CID 119849872

IUPAC4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-11(15-6-8-17-9-7-15)10-14-12(16)4-3-5-13-2;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H
InChIKeyZJSDYKNUQASWDJ-UHFFFAOYSA-N
MW316.27 g/mol
LogP0.67
Rot. Bonds7

About 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride

4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride (PubChem CID 119849872) has the molecular formula C12H27Cl2N3O2 and a molecular weight of 316.27 g/mol. Its IUPAC name is 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride.

Molecular Properties

Compound Name4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
PubChem CID119849872
Molecular FormulaC12H27Cl2N3O2
Molecular Weight316.27 g/mol
Exact Mass315.15
IUPAC Name4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride
SMILESCNCCCC(=O)NCC(C)N1CCOCC1.Cl.Cl
InChIInChI=1S/C12H25N3O2.2ClH/c1-11(15-6-8-17-9-7-15)10-14-12(16)4-3-5-13-2;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H
InChIKeyZJSDYKNUQASWDJ-UHFFFAOYSA-N
XLogP0.67
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-ethyl-2-morpholin-4-ylpentyl)-4-(methylamino)butanamide;dihydrochloride
CID 119841667
N-[2-(4-ethylpiperazin-1-yl)propyl]-4-(methylamino)butanamide
CID 119901708
2-amino-N-(2-morpholin-4-ylpropyl)acetamide
CID 83620199
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide;dihydrochloride
CID 119830133
4-(methylamino)-N-[2-morpholin-4-yl-2-[4-(trifluoromethyl)phenyl]ethyl]butanamide;dihydrochloride
CID 119872533
4-(methylamino)-N-(3-morpholin-4-yl-3-oxopropyl)butanamide
CID 113266090
N-[2-(3-fluorophenyl)-2-morpholin-4-ylethyl]-4-(methylamino)butanamide
CID 119865964
4-(aminomethyl)-N-(2-morpholin-4-ylpropyl)oxane-4-carboxamide;dihydrochloride
CID 120939123
N-(2,3-dimethylbutyl)-4-(methylamino)butanamide;hydrochloride
CID 119796498
4-(methylamino)-N-[3-methyl-2-(4-methylpiperidin-1-yl)butyl]butanamide;dihydrochloride
CID 119849813
2-methyl-N-(2-morpholin-4-ylpropyl)prop-2-enamide
CID 102248451
N-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-4-(methylamino)butanamide
CID 119856324

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
The IUPAC name of 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride (CID 119849872) is 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride.
What is the SMILES notation for 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
The canonical SMILES for 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride is CNCCCC(=O)NCC(C)N1CCOCC1.Cl.Cl.
What is the InChIKey of 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
The InChIKey is ZJSDYKNUQASWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2.2ClH/c1-11(15-6-8-17-9-7-15)10-14-12(16)4-3-5-13-2;;/h11,13H,3-10H2,1-2H3,(H,14,16);2*1H.
What are the key properties of 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride?
4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride has a molecular weight of 316.27 g/mol, XLogP of 0.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-(2-morpholin-4-ylpropyl)butanamide;dihydrochloride is sourced from PubChem (CID 119849872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).