2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide

C12H25N3O2 — CID 43699936

IUPAC2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
SMILESCCC(N)C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-6-9(13)11(16)14-10(7-8(2)3)12(17)15(4)5/h8-10H,6-7,13H2,1-5H3,(H,14,16)
InChIKeyMLAROCQODLTNJJ-UHFFFAOYSA-N
MW243.35 g/mol
LogP0.34
Rot. Bonds6

About 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide

2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide (PubChem CID 43699936) has the molecular formula C12H25N3O2 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide.

Molecular Properties

Compound Name2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
PubChem CID43699936
Molecular FormulaC12H25N3O2
Molecular Weight243.35 g/mol
Exact Mass243.19
IUPAC Name2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide
SMILESCCC(N)C(=O)NC(CC(C)C)C(=O)N(C)C
InChIInChI=1S/C12H25N3O2/c1-6-9(13)11(16)14-10(7-8(2)3)12(17)15(4)5/h8-10H,6-7,13H2,1-5H3,(H,14,16)
InChIKeyMLAROCQODLTNJJ-UHFFFAOYSA-N
XLogP0.34
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[1-(dimethylamino)-1-oxopropan-2-yl]butanamide
CID 43649658
2-[[(2R)-2-amino-3,3-dimethylbutanoyl]amino]-N,N,4-trimethylpentanamide
CID 103928611
2-[[3-(ethylamino)-2-methylpropanoyl]amino]-N,N,4-trimethylpentanamide
CID 62852895
(2S)-2-amino-N-(4-methylpentan-2-yl)butanamide
CID 79025012
(2S)-2-amino-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]butanamide
CID 103109126
2-amino-N,N-dimethylbutanamide
CID 43649466
N,N,4-trimethyl-2-(2-methylpentan-3-ylamino)pentanamide
CID 43779357
2-(4-aminobutanoylamino)-N,N,4-trimethylpentanamide
CID 43699929
2-[(3-amino-2,2-dimethylpropanoyl)amino]-N,N,4-trimethylpentanamide
CID 115426173
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]butanamide
CID 82945905
methyl 2-[(2-amino-4-methylpentanoyl)amino]-4-methylpentanoate
CID 5159380
2-amino-N-[1-(ethylamino)-1-oxobutan-2-yl]-4-methylpentanamide
CID 85264464

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide?
The IUPAC name of 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide (CID 43699936) is 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide.
What is the SMILES notation for 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide?
The canonical SMILES for 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide is CCC(N)C(=O)NC(CC(C)C)C(=O)N(C)C.
What is the InChIKey of 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide?
The InChIKey is MLAROCQODLTNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O2/c1-6-9(13)11(16)14-10(7-8(2)3)12(17)15(4)5/h8-10H,6-7,13H2,1-5H3,(H,14,16).
What are the key properties of 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide?
2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide has a molecular weight of 243.35 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobutanoylamino)-N,N,4-trimethylpentanamide is sourced from PubChem (CID 43699936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).