2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide

C14H28N2O2 — CID 113166139

IUPAC2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-9-15(10-8-2)13(18)11-16(12(3)17)14(4,5)6/h7-11H2,1-6H3
InChIKeyXFJFLDKBKHBJGB-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.28
Rot. Bonds6

About 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide

2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide (PubChem CID 113166139) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide.

Molecular Properties

Compound Name2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
PubChem CID113166139
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide
SMILESCCCN(CCC)C(=O)CN(C(C)=O)C(C)(C)C
InChIInChI=1S/C14H28N2O2/c1-7-9-15(10-8-2)13(18)11-16(12(3)17)14(4,5)6/h7-11H2,1-6H3
InChIKeyXFJFLDKBKHBJGB-UHFFFAOYSA-N
XLogP2.28
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide?
The IUPAC name of 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide (CID 113166139) is 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide.
What is the SMILES notation for 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide?
The canonical SMILES for 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide is CCCN(CCC)C(=O)CN(C(C)=O)C(C)(C)C.
What is the InChIKey of 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide?
The InChIKey is XFJFLDKBKHBJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-7-9-15(10-8-2)13(18)11-16(12(3)17)14(4,5)6/h7-11H2,1-6H3.
What are the key properties of 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide?
2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide has a molecular weight of 256.39 g/mol, XLogP of 2.28, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(tert-butyl)amino]-N,N-dipropylacetamide is sourced from PubChem (CID 113166139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).