butanamide

C8H18N2O2 — CID 141414886

IUPACbutanamide
SMILESCCCC(N)=O.CCCC(N)=O
InChIInChI=1S/2C4H9NO/c2*1-2-3-4(5)6/h2*2-3H2,1H3,(H2,5,6)
InChIKeyXZOWIJDBQIHMFC-UHFFFAOYSA-N
MW174.24 g/mol
LogP0.54
Rot. Bonds4

About butanamide

butanamide (PubChem CID 141414886) has the molecular formula C8H18N2O2 and a molecular weight of 174.24 g/mol. Its IUPAC name is butanamide.

Molecular Properties

Compound Namebutanamide
PubChem CID141414886
Molecular FormulaC8H18N2O2
Molecular Weight174.24 g/mol
Exact Mass174.14
IUPAC Namebutanamide
SMILESCCCC(N)=O.CCCC(N)=O
InChIInChI=1S/2C4H9NO/c2*1-2-3-4(5)6/h2*2-3H2,1H3,(H2,5,6)
InChIKeyXZOWIJDBQIHMFC-UHFFFAOYSA-N
XLogP0.54
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

butanamide;dihydrobromide
CID 140988378
CID 158833027
CID 158833027
potassium;butanamide;hydride
CID 174374590
butanamide;dichlorozirconium
CID 175565621
amino-oxido-oxophosphanium;butanamide
CID 174709936
butanamide;hexan-2-one;propane
CID 145305673
tetrapentacontanamide
CID 139682680
nonacosanamide
CID 21105912
acetamide;pentanamide
CID 158041283
CID 87899207
CID 87899207
tetradecanamide
CID 175692014
butanoyl 4-amino-4-oxobutanoate
CID 154449592

Frequently Asked Questions

What is the IUPAC name of butanamide?
The IUPAC name of butanamide (CID 141414886) is butanamide.
What is the SMILES notation for butanamide?
The canonical SMILES for butanamide is CCCC(N)=O.CCCC(N)=O.
What is the InChIKey of butanamide?
The InChIKey is XZOWIJDBQIHMFC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H9NO/c2*1-2-3-4(5)6/h2*2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide?
butanamide has a molecular weight of 174.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide is sourced from PubChem (CID 141414886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).