butane;2-hydroxypropanamide

C7H17NO2 — CID 87347972

IUPACbutane;2-hydroxypropanamide
SMILESCC(O)C(N)=O.CCCC
InChIInChI=1S/C4H10.C3H7NO2/c1-3-4-2;1-2(5)3(4)6/h3-4H2,1-2H3;2,5H,1H3,(H2,4,6)
InChIKeyAJLJPAYQHAUGNS-UHFFFAOYSA-N
MW147.22 g/mol
LogP0.66
Rot. Bonds2

About butane;2-hydroxypropanamide

butane;2-hydroxypropanamide (PubChem CID 87347972) has the molecular formula C7H17NO2 and a molecular weight of 147.22 g/mol. Its IUPAC name is butane;2-hydroxypropanamide.

Molecular Properties

Compound Namebutane;2-hydroxypropanamide
PubChem CID87347972
Molecular FormulaC7H17NO2
Molecular Weight147.22 g/mol
Exact Mass147.13
IUPAC Namebutane;2-hydroxypropanamide
SMILESCC(O)C(N)=O.CCCC
InChIInChI=1S/C4H10.C3H7NO2/c1-3-4-2;1-2(5)3(4)6/h3-4H2,1-2H3;2,5H,1H3,(H2,4,6)
InChIKeyAJLJPAYQHAUGNS-UHFFFAOYSA-N
XLogP0.66
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

dimethylphosphane;2-hydroxypropanamide
CID 174842276
2-aminopropanoic acid;2-hydroxypropanamide
CID 174928864
2,3-dimethylhexanamide
CID 55291364
2,3-dimethylbutanediamide
CID 55281411
2-hydroxy-3-methylhexanamide
CID 62226604
(2R,3R)-2,3-dimethylpentanamide
CID 170847775
ethyl 2-hydroxypropanoate;sulfane
CID 162209332
2,3-dimethylpentanamide;hydroxylamine
CID 88699485
1-aminoethanol;2-hydroxyacetamide
CID 160904835
[1-(1-ethoxy-1-oxopropan-2-yl)oxy-1-oxopropan-2-yl] 2-hydroxypropanoate
CID 85434603
ethyl acetate;2-methylpropanamide
CID 174848751
2-methylhexanamide
CID 2828737

Frequently Asked Questions

What is the IUPAC name of butane;2-hydroxypropanamide?
The IUPAC name of butane;2-hydroxypropanamide (CID 87347972) is butane;2-hydroxypropanamide.
What is the SMILES notation for butane;2-hydroxypropanamide?
The canonical SMILES for butane;2-hydroxypropanamide is CC(O)C(N)=O.CCCC.
What is the InChIKey of butane;2-hydroxypropanamide?
The InChIKey is AJLJPAYQHAUGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10.C3H7NO2/c1-3-4-2;1-2(5)3(4)6/h3-4H2,1-2H3;2,5H,1H3,(H2,4,6).
What are the key properties of butane;2-hydroxypropanamide?
butane;2-hydroxypropanamide has a molecular weight of 147.22 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butane;2-hydroxypropanamide is sourced from PubChem (CID 87347972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).