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

C12H24N2O2 — CID 113158615

IUPAC2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
SMILESCCCCN(CC(=O)NC(C)CC)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-5-7-8-14(11(4)15)9-12(16)13-10(3)6-2/h10H,5-9H2,1-4H3,(H,13,16)
InChIKeyDWNGYUYGCLMXBA-UHFFFAOYSA-N
MW228.34 g/mol
LogP1.55
Rot. Bonds7

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

2-[acetyl(butyl)amino]-N-butan-2-ylacetamide (PubChem CID 113158615) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
PubChem CID113158615
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[acetyl(butyl)amino]-N-butan-2-ylacetamide
SMILESCCCCN(CC(=O)NC(C)CC)C(C)=O
InChIInChI=1S/C12H24N2O2/c1-5-7-8-14(11(4)15)9-12(16)13-10(3)6-2/h10H,5-9H2,1-4H3,(H,13,16)
InChIKeyDWNGYUYGCLMXBA-UHFFFAOYSA-N
XLogP1.55
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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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Related Compounds

2-[acetyl(pentyl)amino]-N-butan-2-ylacetamide
CID 113166653
3-[[2-(butan-2-ylamino)-2-oxoethyl]-butylamino]propanoic acid
CID 82327333
N-butan-2-yl-N'-butyl-N'-methylpropanediamide
CID 108941812
2-[acetyl-[2-(4-methoxyphenoxy)ethyl]amino]-N-butan-2-ylacetamide
CID 113165945
2-[acetyl(pentyl)amino]-N-(1-phenylethyl)acetamide
CID 113166676
2-[acetyl(butyl)amino]-N-cyclopropylacetamide
CID 113158611
2-[acetyl-[(2-methylphenyl)methyl]amino]-N-butan-2-ylacetamide
CID 113161359
3-[[2-(butan-2-ylamino)-2-oxoethyl]-hexylamino]propanoic acid
CID 82327338
N-butan-2-yl-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691813
N-butan-2-ylhexacosanamide
CID 163047877
N-butan-2-ylnonanamide
CID 4188803
2-[[2-(butan-2-ylamino)-2-oxoethyl]-(carboxymethyl)amino]acetic acid
CID 63644616

Frequently Asked Questions

What is the IUPAC name of 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide (CID 113158615) is 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide is CCCCN(CC(=O)NC(C)CC)C(C)=O.
What is the InChIKey of 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide?
The InChIKey is DWNGYUYGCLMXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-7-8-14(11(4)15)9-12(16)13-10(3)6-2/h10H,5-9H2,1-4H3,(H,13,16).
What are the key properties of 2-[acetyl(butyl)amino]-N-butan-2-ylacetamide?
2-[acetyl(butyl)amino]-N-butan-2-ylacetamide has a molecular weight of 228.34 g/mol, XLogP of 1.55, 7 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-butan-2-ylacetamide is sourced from PubChem (CID 113158615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).