3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide

C12H25N3O2 — CID 54374416

IUPAC3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
SMILESCCN(CC)CC(NC)C(=O)NC(C)C(C)=O
InChIInChI=1S/C12H25N3O2/c1-6-15(7-2)8-11(13-5)12(17)14-9(3)10(4)16/h9,11,13H,6-8H2,1-5H3,(H,14,17)
InChIKeyUVLZRDJPDVKFRV-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.01
Rot. Bonds8

About 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide

3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide (PubChem CID 54374416) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide.

Molecular Properties

Compound Name3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
PubChem CID54374416
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide
SMILESCCN(CC)CC(NC)C(=O)NC(C)C(C)=O
InChIInChI=1S/C12H25N3O2/c1-6-15(7-2)8-11(13-5)12(17)14-9(3)10(4)16/h9,11,13H,6-8H2,1-5H3,(H,14,17)
InChIKeyUVLZRDJPDVKFRV-UHFFFAOYSA-N
XLogP0.01
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide 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 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide?
The IUPAC name of 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide (CID 54374416) is 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide.
What is the SMILES notation for 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide?
The canonical SMILES for 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide is CCN(CC)CC(NC)C(=O)NC(C)C(C)=O.
What is the InChIKey of 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide?
The InChIKey is UVLZRDJPDVKFRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-15(7-2)8-11(13-5)12(17)14-9(3)10(4)16/h9,11,13H,6-8H2,1-5H3,(H,14,17).
What are the key properties of 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide?
3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide has a molecular weight of 243.35 g/mol, XLogP of 0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-2-(methylamino)-N-(3-oxobutan-2-yl)propanamide is sourced from PubChem (CID 54374416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).