N'-butylbutanediamide

C8H16N2O2 — CID 12550556

IUPACN'-butylbutanediamide
SMILESCCCCNC(=O)CCC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-3-6-10-8(12)5-4-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeyAKKLURFRSRACGV-UHFFFAOYSA-N
MW172.23 g/mol
LogP0.17
Rot. Bonds6

About N'-butylbutanediamide

N'-butylbutanediamide (PubChem CID 12550556) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is N'-butylbutanediamide.

Molecular Properties

Compound NameN'-butylbutanediamide
PubChem CID12550556
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC NameN'-butylbutanediamide
SMILESCCCCNC(=O)CCC(N)=O
InChIInChI=1S/C8H16N2O2/c1-2-3-6-10-8(12)5-4-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12)
InChIKeyAKKLURFRSRACGV-UHFFFAOYSA-N
XLogP0.17
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-dodecylbutanediamide
CID 19973702
N'-icosylbutanediamide
CID 175408923
disodium;hydride;N'-octadecylbutanediamide
CID 175169535
N'-docosyldocosanediamide
CID 91257562
hexadecanamide;N-octadecyloctadecanamide
CID 174792473
22-(docosanoylamino)docosanamide
CID 90926402
N'-octylhexanediamide
CID 18377759
N'-(3-propoxypropyl)butanediamide
CID 153375512
N-(3-amino-3-oxopropyl)octadecanamide
CID 57257667
N'-heptylundecanediamide;propanoic acid
CID 175230905
N-butyl-2-(carbamoylamino)acetamide;propane
CID 142017204
7-amino-N-butylheptanamide
CID 24689519

Frequently Asked Questions

What is the IUPAC name of N'-butylbutanediamide?
The IUPAC name of N'-butylbutanediamide (CID 12550556) is N'-butylbutanediamide.
What is the SMILES notation for N'-butylbutanediamide?
The canonical SMILES for N'-butylbutanediamide is CCCCNC(=O)CCC(N)=O.
What is the InChIKey of N'-butylbutanediamide?
The InChIKey is AKKLURFRSRACGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-2-3-6-10-8(12)5-4-7(9)11/h2-6H2,1H3,(H2,9,11)(H,10,12).
What are the key properties of N'-butylbutanediamide?
N'-butylbutanediamide has a molecular weight of 172.23 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butylbutanediamide is sourced from PubChem (CID 12550556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).