3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide

C13H26N2O2 — CID 113116111

IUPAC3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCC(C)N(CCC(=O)NCC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-6-11(4)15(12(5)16)8-7-13(17)14-9-10(2)3/h10-11H,6-9H2,1-5H3,(H,14,17)
InChIKeyOHMIVTBOCMCGKZ-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.80
Rot. Bonds7

About 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide

3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide (PubChem CID 113116111) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide
PubChem CID113116111
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide
SMILESCCC(C)N(CCC(=O)NCC(C)C)C(C)=O
InChIInChI=1S/C13H26N2O2/c1-6-11(4)15(12(5)16)8-7-13(17)14-9-10(2)3/h10-11H,6-9H2,1-5H3,(H,14,17)
InChIKeyOHMIVTBOCMCGKZ-UHFFFAOYSA-N
XLogP1.80
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide (CID 113116111) is 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide is CCC(C)N(CCC(=O)NCC(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide?
The InChIKey is OHMIVTBOCMCGKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-6-11(4)15(12(5)16)8-7-13(17)14-9-10(2)3/h10-11H,6-9H2,1-5H3,(H,14,17).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide has a molecular weight of 242.36 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide is sourced from PubChem (CID 113116111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).