2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide

C15H30N4O3 — CID 155951896

IUPAC2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C15H30N4O3/c1-5-6-18(8-7-17(3)4)14(20)15(21)19-9-10-22-13(11-19)12(2)16/h12-13H,5-11,16H2,1-4H3
InChIKeyYQLDRTSMZQWZSU-UHFFFAOYSA-N
MW314.43 g/mol
LogP-0.64
Rot. Bonds6

About 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide

2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide (PubChem CID 155951896) has the molecular formula C15H30N4O3 and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide
PubChem CID155951896
Molecular FormulaC15H30N4O3
Molecular Weight314.43 g/mol
Exact Mass314.23
IUPAC Name2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide
SMILESCCCN(CCN(C)C)C(=O)C(=O)N1CCOC(C(C)N)C1
InChIInChI=1S/C15H30N4O3/c1-5-6-18(8-7-17(3)4)14(20)15(21)19-9-10-22-13(11-19)12(2)16/h12-13H,5-11,16H2,1-4H3
InChIKeyYQLDRTSMZQWZSU-UHFFFAOYSA-N
XLogP-0.64
TPSA79.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide?
The IUPAC name of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide (CID 155951896) is 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide is CCCN(CCN(C)C)C(=O)C(=O)N1CCOC(C(C)N)C1.
What is the InChIKey of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide?
The InChIKey is YQLDRTSMZQWZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N4O3/c1-5-6-18(8-7-17(3)4)14(20)15(21)19-9-10-22-13(11-19)12(2)16/h12-13H,5-11,16H2,1-4H3.
What are the key properties of 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide?
2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide has a molecular weight of 314.43 g/mol, XLogP of -0.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)morpholin-4-yl]-N-[2-(dimethylamino)ethyl]-2-oxo-N-propylacetamide is sourced from PubChem (CID 155951896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).