N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide

C13H26N2O2 — CID 113052643

IUPACN-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCCC(C)N(CCNC(=O)C(C)(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-7-10(2)15(11(3)16)9-8-14-12(17)13(4,5)6/h10H,7-9H2,1-6H3,(H,14,17)
InChIKeyXXZCTQFEQJXMGA-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.80
Rot. Bonds5

About N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide

N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide (PubChem CID 113052643) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide
PubChem CID113052643
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC NameN-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide
SMILESCCC(C)N(CCNC(=O)C(C)(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-7-10(2)15(11(3)16)9-8-14-12(17)13(4,5)6/h10H,7-9H2,1-6H3,(H,14,17)
InChIKeyXXZCTQFEQJXMGA-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide (CID 113052643) is N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide is CCC(C)N(CCNC(=O)C(C)(C)C)C(C)=O.
What is the InChIKey of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
The InChIKey is XXZCTQFEQJXMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-7-10(2)15(11(3)16)9-8-14-12(17)13(4,5)6/h10H,7-9H2,1-6H3,(H,14,17).
What are the key properties of N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide?
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide has a molecular weight of 242.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 113052643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).