2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide

C13H26N2O2 — CID 113166653

IUPAC2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
SMILESCCCCCN(CC(=O)NC(C)CC)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-5-7-8-9-15(12(4)16)10-13(17)14-11(3)6-2/h11H,5-10H2,1-4H3,(H,14,17)
InChIKeySBFSOHJZNLDWDK-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.94
Rot. Bonds8

About 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide

2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide (PubChem CID 113166653) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
PubChem CID113166653
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
SMILESCCCCCN(CC(=O)NC(C)CC)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-5-7-8-9-15(12(4)16)10-13(17)14-11(3)6-2/h11H,5-10H2,1-4H3,(H,14,17)
InChIKeySBFSOHJZNLDWDK-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
CID 113158615
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
3-[[2-(butan-2-ylamino)-2-oxoethyl]-hexylamino]propanoic acid
CID 82327338
N,N-di(icosyl)acetamide
CID 57063838
N-heptadecyl-N-tridecylacetamide
CID 172567567
N,N-di(pentadecyl)acetamide
CID 174726671
2-(butan-2-ylamino)-N,N-dihexylacetamide
CID 63497077
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
CID 113165945
3-[[2-(butan-2-ylamino)-2-oxoethyl]-butylamino]propanoic acid
CID 82327333
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
N-butyl-N-heptylacetamide
CID 91713167

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide (CID 113166653) is 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide is CCCCCN(CC(=O)NC(C)CC)C(C)=O.
What is the InChIKey of 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide?
The InChIKey is SBFSOHJZNLDWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-5-7-8-9-15(12(4)16)10-13(17)14-11(3)6-2/h11H,5-10H2,1-4H3,(H,14,17).
What are the key properties of 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide?
2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide has a molecular weight of 242.36 g/mol, XLogP of 1.94, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide is sourced from PubChem (CID 113166653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).