2-butan-2-ylbutanediamide

C8H16N2O2 — CID 87535883

IUPAC2-butan-2-ylbutanediamide
SMILESCCC(C)C(CC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-5(2)6(8(10)12)4-7(9)11/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyVEFCHOWYYIPEOC-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.01
Rot. Bonds5

About 2-butan-2-ylbutanediamide

2-butan-2-ylbutanediamide (PubChem CID 87535883) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-butan-2-ylbutanediamide.

Molecular Properties

Compound Name2-butan-2-ylbutanediamide
PubChem CID87535883
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-butan-2-ylbutanediamide
SMILESCCC(C)C(CC(N)=O)C(N)=O
InChIInChI=1S/C8H16N2O2/c1-3-5(2)6(8(10)12)4-7(9)11/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12)
InChIKeyVEFCHOWYYIPEOC-UHFFFAOYSA-N
XLogP0.01
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-3-methyl-2-(2-oxopropyl)pentanamide
CID 58071164
2-butan-2-yl-5-methylhexanamide
CID 174491174
ethyl 6-amino-3,4-dimethyl-6-oxohexanoate
CID 59188853
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
(2S)-5-(4-bromophenyl)-2-[(2S)-butan-2-yl]-4-oxopentanamide
CID 149334203
(2S)-2-amino-3-methylpentanamide
CID 10290817
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
2,3-diethyl-5-hydroxypentanamide;5-hydroxy-3,4-dimethylpentanamide
CID 88816865
(3S)-2-amino-3-methylpentanamide;sulfane
CID 159517895
(2S)-2-ethyl-3,5-dimethylheptanamide
CID 143378708
3-methylbutanamide
CID 87933309
bis((2S,3S)-2-amino-3-methylpentanoic acid);(2S)-2,4-diamino-4-oxobutanoic acid
CID 87666554

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylbutanediamide?
The IUPAC name of 2-butan-2-ylbutanediamide (CID 87535883) is 2-butan-2-ylbutanediamide.
What is the SMILES notation for 2-butan-2-ylbutanediamide?
The canonical SMILES for 2-butan-2-ylbutanediamide is CCC(C)C(CC(N)=O)C(N)=O.
What is the InChIKey of 2-butan-2-ylbutanediamide?
The InChIKey is VEFCHOWYYIPEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-3-5(2)6(8(10)12)4-7(9)11/h5-6H,3-4H2,1-2H3,(H2,9,11)(H2,10,12).
What are the key properties of 2-butan-2-ylbutanediamide?
2-butan-2-ylbutanediamide has a molecular weight of 172.23 g/mol, XLogP of 0.01, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylbutanediamide is sourced from PubChem (CID 87535883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).