butanamide

C4H9NO — CID 10927

IUPACbutanamide
SMILESCCCC(N)=O
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyDNSISZSEWVHGLH-UHFFFAOYSA-N
MW87.12 g/mol
LogP0.27
Rot. Bonds2

About butanamide

butanamide (PubChem CID 10927) has the molecular formula C4H9NO and a molecular weight of 87.12 g/mol. Its IUPAC name is butanamide.

Molecular Properties

Compound Namebutanamide
PubChem CID10927
Molecular FormulaC4H9NO
Molecular Weight87.12 g/mol
Exact Mass87.07
IUPAC Namebutanamide
SMILESCCCC(N)=O
InChIInChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6)
InChIKeyDNSISZSEWVHGLH-UHFFFAOYSA-N
XLogP0.27
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50087.12
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isobutyramide
CID 68424
3-Methylbutanamide
CID 10930
Pentanamide
CID 12298
2-Methylbutanamide
CID 97778
3,3-Dimethylbutanamide
CID 219625
2,3-Dimethylbutanamide
CID 9793735
(+)-(s)-2-Methyl-butanoic amide
CID 21344920
(R)-2-Methylbutanamide
CID 41097729
Perfluoro butyramide
CID 19001751
Pentanamide--hydrogen chloride (1/1)
CID 19817493
Butanamide--hydrogen chloride (1/1)
CID 22560754
3-Fluorobutanamide
CID 87189810

Frequently Asked Questions

What is the IUPAC name of butanamide?
The IUPAC name of butanamide (CID 10927) is butanamide.
What is the SMILES notation for butanamide?
The canonical SMILES for butanamide is CCCC(N)=O.
What is the InChIKey of butanamide?
The InChIKey is DNSISZSEWVHGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO/c1-2-3-4(5)6/h2-3H2,1H3,(H2,5,6).
What are the key properties of butanamide?
butanamide has a molecular weight of 87.12 g/mol, XLogP of 0.27, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butanamide is sourced from PubChem (CID 10927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).