2-[acetyl(butyl)amino]-N-tert-butylacetamide

C12H24N2O2 — CID 113158687

IUPAC2-[acetyl(butyl)amino]-N-tert-butylacetamide
SMILESCCCCN(CC(=O)NC(C)(C)C)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-6-7-8-14(10(2)15)9-11(16)13-12(3,4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyXRATYLGCWWYBSI-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.55
Rot. Bonds5

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

2-[acetyl(butyl)amino]-N-tert-butylacetamide (PubChem CID 113158687) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-tert-butylacetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-tert-butylacetamide
PubChem CID113158687
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[acetyl(butyl)amino]-N-tert-butylacetamide
SMILESCCCCN(CC(=O)NC(C)(C)C)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-6-7-8-14(10(2)15)9-11(16)13-12(3,4)5/h6-9H2,1-5H3,(H,13,16)
InChIKeyXRATYLGCWWYBSI-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-tert-butylacetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-tert-butylacetamide (CID 113158687) is 2-[acetyl(butyl)amino]-N-tert-butylacetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-tert-butylacetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-tert-butylacetamide is CCCCN(CC(=O)NC(C)(C)C)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-tert-butylacetamide?
The InChIKey is XRATYLGCWWYBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-6-7-8-14(10(2)15)9-11(16)13-12(3,4)5/h6-9H2,1-5H3,(H,13,16).
What are the key properties of 2-[acetyl(butyl)amino]-N-tert-butylacetamide?
2-[acetyl(butyl)amino]-N-tert-butylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(butyl)amino]-N-tert-butylacetamide is sourced from PubChem (CID 113158687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).