N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide

C15H29N3O3 — CID 20687781

IUPACN'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide
SMILESCCNC(CC(=O)N(C)C(C)(C)C)C(=O)NC(C)C(C)=O
InChIInChI=1S/C15H29N3O3/c1-8-16-12(14(21)17-10(2)11(3)19)9-13(20)18(7)15(4,5)6/h10,12,16H,8-9H2,1-7H3,(H,17,21)
InChIKeyDIJDEZLPLHTNII-UHFFFAOYSA-N
MW299.42 g/mol
LogP0.71
Rot. Bonds7

About N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide

N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide (PubChem CID 20687781) has the molecular formula C15H29N3O3 and a molecular weight of 299.42 g/mol. Its IUPAC name is N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide.

Molecular Properties

Compound NameN'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide
PubChem CID20687781
Molecular FormulaC15H29N3O3
Molecular Weight299.42 g/mol
Exact Mass299.22
IUPAC NameN'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide
SMILESCCNC(CC(=O)N(C)C(C)(C)C)C(=O)NC(C)C(C)=O
InChIInChI=1S/C15H29N3O3/c1-8-16-12(14(21)17-10(2)11(3)19)9-13(20)18(7)15(4,5)6/h10,12,16H,8-9H2,1-7H3,(H,17,21)
InChIKeyDIJDEZLPLHTNII-UHFFFAOYSA-N
XLogP0.71
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide 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 N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide?
The IUPAC name of N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide (CID 20687781) is N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide.
What is the SMILES notation for N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide?
The canonical SMILES for N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide is CCNC(CC(=O)N(C)C(C)(C)C)C(=O)NC(C)C(C)=O.
What is the InChIKey of N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide?
The InChIKey is DIJDEZLPLHTNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O3/c1-8-16-12(14(21)17-10(2)11(3)19)9-13(20)18(7)15(4,5)6/h10,12,16H,8-9H2,1-7H3,(H,17,21).
What are the key properties of N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide?
N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide has a molecular weight of 299.42 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-tert-butyl-2-(ethylamino)-N'-methyl-N-(3-oxobutan-2-yl)butanediamide is sourced from PubChem (CID 20687781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).