3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride

C16H35Cl2N3O2 — CID 120652628

IUPAC3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)C(C(CC)CC)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H33N3O2.2ClH/c1-5-14(6-2)15(19-8-10-21-11-9-19)16(20)18-12-13(4)17-7-3;;/h13-15,17H,5-12H2,1-4H3,(H,18,20);2*1H/t13-,15?;;/m1../s1
InChIKeyLDMKEWYWLQILJQ-RSZRSJCOSA-N
MW372.38 g/mol
LogP2.08
Rot. Bonds9

About 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride

3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride (PubChem CID 120652628) has the molecular formula C16H35Cl2N3O2 and a molecular weight of 372.38 g/mol. Its IUPAC name is 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride.

Molecular Properties

Compound Name3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
PubChem CID120652628
Molecular FormulaC16H35Cl2N3O2
Molecular Weight372.38 g/mol
Exact Mass371.21
IUPAC Name3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride
SMILESCCN[C@H](C)CNC(=O)C(C(CC)CC)N1CCOCC1.Cl.Cl
InChIInChI=1S/C16H33N3O2.2ClH/c1-5-14(6-2)15(19-8-10-21-11-9-19)16(20)18-12-13(4)17-7-3;;/h13-15,17H,5-12H2,1-4H3,(H,18,20);2*1H/t13-,15?;;/m1../s1
InChIKeyLDMKEWYWLQILJQ-RSZRSJCOSA-N
XLogP2.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride?
The IUPAC name of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride (CID 120652628) is 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride.
What is the SMILES notation for 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride?
The canonical SMILES for 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride is CCN[C@H](C)CNC(=O)C(C(CC)CC)N1CCOCC1.Cl.Cl.
What is the InChIKey of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride?
The InChIKey is LDMKEWYWLQILJQ-RSZRSJCOSA-N. The full InChI is InChI=1S/C16H33N3O2.2ClH/c1-5-14(6-2)15(19-8-10-21-11-9-19)16(20)18-12-13(4)17-7-3;;/h13-15,17H,5-12H2,1-4H3,(H,18,20);2*1H/t13-,15?;;/m1../s1.
What are the key properties of 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride?
3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride has a molecular weight of 372.38 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(2R)-2-(ethylamino)propyl]-2-morpholin-4-ylpentanamide;dihydrochloride is sourced from PubChem (CID 120652628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).