N-butyl-3-hydroxy-2-oxopentanamide

C9H17NO3 — CID 89212552

IUPACN-butyl-3-hydroxy-2-oxopentanamide
SMILESCCCCNC(=O)C(=O)C(O)CC
InChIInChI=1S/C9H17NO3/c1-3-5-6-10-9(13)8(12)7(11)4-2/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyIXRJWWDCSRRGBN-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.24
Rot. Bonds6

About N-butyl-3-hydroxy-2-oxopentanamide

N-butyl-3-hydroxy-2-oxopentanamide (PubChem CID 89212552) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is N-butyl-3-hydroxy-2-oxopentanamide.

Molecular Properties

Compound NameN-butyl-3-hydroxy-2-oxopentanamide
PubChem CID89212552
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC NameN-butyl-3-hydroxy-2-oxopentanamide
SMILESCCCCNC(=O)C(=O)C(O)CC
InChIInChI=1S/C9H17NO3/c1-3-5-6-10-9(13)8(12)7(11)4-2/h7,11H,3-6H2,1-2H3,(H,10,13)
InChIKeyIXRJWWDCSRRGBN-UHFFFAOYSA-N
XLogP0.24
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-diheptyloxamide
CID 3417538
N-hexadecyl-N'-[2-[[2-(hexadecylamino)-2-oxoacetyl]amino]ethyl]oxamide
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butylcarbamic acid
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1-butyl-3-[4-(butylcarbamoylamino)butyl]urea
CID 161375219
N,N'-dibutyl-2-fluoropropanediamide
CID 141391063
N'-butyl-2-hydroxybutanediamide
CID 88532748
(Z)-N-butyl-3-iodo-2-methylprop-2-enamide
CID 125477558
N'-[(2R)-butan-2-yl]-N-hexyloxamide
CID 126266523
butylcarbamic acid;zinc
CID 141049802
butylcarbamoylazanium
CID 143909883
N-butyl-1-phosphanylformamide
CID 89204579
N-butylcarbamoyl chloride
CID 14251115

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-hydroxy-2-oxopentanamide?
The IUPAC name of N-butyl-3-hydroxy-2-oxopentanamide (CID 89212552) is N-butyl-3-hydroxy-2-oxopentanamide.
What is the SMILES notation for N-butyl-3-hydroxy-2-oxopentanamide?
The canonical SMILES for N-butyl-3-hydroxy-2-oxopentanamide is CCCCNC(=O)C(=O)C(O)CC.
What is the InChIKey of N-butyl-3-hydroxy-2-oxopentanamide?
The InChIKey is IXRJWWDCSRRGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-3-5-6-10-9(13)8(12)7(11)4-2/h7,11H,3-6H2,1-2H3,(H,10,13).
What are the key properties of N-butyl-3-hydroxy-2-oxopentanamide?
N-butyl-3-hydroxy-2-oxopentanamide has a molecular weight of 187.24 g/mol, XLogP of 0.24, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-hydroxy-2-oxopentanamide is sourced from PubChem (CID 89212552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).