3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide

C18H30N2O4 — CID 21284040

IUPAC3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)C1CC(=O)C(C(C)CC(=O)N(C)C)CC1=O
InChIInChI=1S/C18H30N2O4/c1-11(7-17(23)19(3)4)13-9-16(22)14(10-15(13)21)12(2)8-18(24)20(5)6/h11-14H,7-10H2,1-6H3
InChIKeyKICRURDDDXCTOA-UHFFFAOYSA-N
MW338.45 g/mol
LogP1.38
Rot. Bonds6

About 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide

3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide (PubChem CID 21284040) has the molecular formula C18H30N2O4 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide.

Molecular Properties

Compound Name3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide
PubChem CID21284040
Molecular FormulaC18H30N2O4
Molecular Weight338.45 g/mol
Exact Mass338.22
IUPAC Name3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide
SMILESCC(CC(=O)N(C)C)C1CC(=O)C(C(C)CC(=O)N(C)C)CC1=O
InChIInChI=1S/C18H30N2O4/c1-11(7-17(23)19(3)4)13-9-16(22)14(10-15(13)21)12(2)8-18(24)20(5)6/h11-14H,7-10H2,1-6H3
InChIKeyKICRURDDDXCTOA-UHFFFAOYSA-N
XLogP1.38
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide 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-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide?
The IUPAC name of 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide (CID 21284040) is 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide.
What is the SMILES notation for 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide?
The canonical SMILES for 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide is CC(CC(=O)N(C)C)C1CC(=O)C(C(C)CC(=O)N(C)C)CC1=O.
What is the InChIKey of 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide?
The InChIKey is KICRURDDDXCTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4/c1-11(7-17(23)19(3)4)13-9-16(22)14(10-15(13)21)12(2)8-18(24)20(5)6/h11-14H,7-10H2,1-6H3.
What are the key properties of 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide?
3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide has a molecular weight of 338.45 g/mol, XLogP of 1.38, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(dimethylamino)-4-oxobutan-2-yl]-2,5-dioxocyclohexyl]-N,N-dimethylbutanamide is sourced from PubChem (CID 21284040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).