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

C14H28N2O2 — CID 113116187

IUPAC3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide
SMILESCCC(C)N(CCC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C14H28N2O2/c1-6-12(4)16(13(5)17)10-8-14(18)15-9-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,15,18)
InChIKeyVJLVJDSVGAVLGF-UHFFFAOYSA-N
MW256.39 g/mol
LogP2.19
Rot. Bonds8

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

3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide (PubChem CID 113116187) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide
PubChem CID113116187
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide
SMILESCCC(C)N(CCC(=O)NCCC(C)C)C(C)=O
InChIInChI=1S/C14H28N2O2/c1-6-12(4)16(13(5)17)10-8-14(18)15-9-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,15,18)
InChIKeyVJLVJDSVGAVLGF-UHFFFAOYSA-N
XLogP2.19
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[acetyl(butan-2-yl)amino]-N-(2-methylpropyl)propanamide
CID 113116111
3-[acetyl(butan-2-yl)amino]-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113116151
N,N'-bis(3-methylbutyl)hexanediamide
CID 5045138
4-hydroxy-N-(3-methylbutyl)pentanamide
CID 79001671
3-[acetyl(2-methylpropyl)amino]-N-propylpropanamide
CID 113115907
3-[acetyl(butan-2-yl)amino]-N-[(4-methoxyphenyl)methyl]propanamide
CID 113116142
3-[acetyl(butan-2-yl)amino]-N-[(2-chlorophenyl)methyl]propanamide
CID 113116139
3-[acetyl(3-methylbutyl)amino]-N-pentylpropanamide
CID 113122880
2-[butan-2-yl(3-methylbutylcarbamoyl)amino]acetic acid
CID 61184230
N-[2-[acetyl(butan-2-yl)amino]ethyl]-2,2-dimethylpropanamide
CID 113052643
N-[2-[2-[3-[ethyl(methyl)amino]propanoylamino]ethyldisulfanyl]ethyl]-4-methylpentanamide
CID 172594400
3-[acetyl(butan-2-yl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 113116146

Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide (CID 113116187) is 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide is CCC(C)N(CCC(=O)NCCC(C)C)C(C)=O.
What is the InChIKey of 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide?
The InChIKey is VJLVJDSVGAVLGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-6-12(4)16(13(5)17)10-8-14(18)15-9-7-11(2)3/h11-12H,6-10H2,1-5H3,(H,15,18).
What are the key properties of 3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide?
3-[acetyl(butan-2-yl)amino]-N-(3-methylbutyl)propanamide has a molecular weight of 256.39 g/mol, XLogP of 2.19, 8 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-(3-methylbutyl)propanamide is sourced from PubChem (CID 113116187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).