N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide

C12H24N2O2 — CID 58615424

IUPACN-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)C(CC)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-7-9(3)11(15)14(6)10(8-2)12(16)13(4)5/h9-10H,7-8H2,1-6H3
InChIKeyRDXSYVOQCNCRKQ-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.36
Rot. Bonds5

About N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide

N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide (PubChem CID 58615424) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide
PubChem CID58615424
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC NameN-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide
SMILESCCC(C)C(=O)N(C)C(CC)C(=O)N(C)C
InChIInChI=1S/C12H24N2O2/c1-7-9(3)11(15)14(6)10(8-2)12(16)13(4)5/h9-10H,7-8H2,1-6H3
InChIKeyRDXSYVOQCNCRKQ-UHFFFAOYSA-N
XLogP1.36
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide (CID 58615424) is N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide is CCC(C)C(=O)N(C)C(CC)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide?
The InChIKey is RDXSYVOQCNCRKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-7-9(3)11(15)14(6)10(8-2)12(16)13(4)5/h9-10H,7-8H2,1-6H3.
What are the key properties of N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide?
N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide has a molecular weight of 228.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxobutan-2-yl]-N,2-dimethylbutanamide is sourced from PubChem (CID 58615424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).