3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride

C16H27Cl2N3O2 — CID 119878447

IUPAC3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(C(C)N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-12(17)10-16(20)18-15-5-3-4-14(11-15)13(2)19-6-8-21-9-7-19;;/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyZBYAEMJHYVECOC-UHFFFAOYSA-N
MW364.32 g/mol
LogP2.60
Rot. Bonds5

About 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride

3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride (PubChem CID 119878447) has the molecular formula C16H27Cl2N3O2 and a molecular weight of 364.32 g/mol. Its IUPAC name is 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
PubChem CID119878447
Molecular FormulaC16H27Cl2N3O2
Molecular Weight364.32 g/mol
Exact Mass363.15
IUPAC Name3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1cccc(C(C)N2CCOCC2)c1.Cl.Cl
InChIInChI=1S/C16H25N3O2.2ClH/c1-12(17)10-16(20)18-15-5-3-4-14(11-15)13(2)19-6-8-21-9-7-19;;/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20);2*1H
InChIKeyZBYAEMJHYVECOC-UHFFFAOYSA-N
XLogP2.60
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.32
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride (CID 119878447) is 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1cccc(C(C)N2CCOCC2)c1.Cl.Cl.
What is the InChIKey of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride?
The InChIKey is ZBYAEMJHYVECOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.2ClH/c1-12(17)10-16(20)18-15-5-3-4-14(11-15)13(2)19-6-8-21-9-7-19;;/h3-5,11-13H,6-10,17H2,1-2H3,(H,18,20);2*1H.
What are the key properties of 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride?
3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride has a molecular weight of 364.32 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-(1-morpholin-4-ylethyl)phenyl]butanamide;dihydrochloride is sourced from PubChem (CID 119878447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).