N-(3-hydroxy-1-oxooctan-2-yl)acetamide

C10H19NO3 — CID 21416538

IUPACN-(3-hydroxy-1-oxooctan-2-yl)acetamide
SMILESCCCCCC(O)C(C=O)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h7,9-10,14H,3-6H2,1-2H3,(H,11,13)
InChIKeyJQFPGAZPUVSBIH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.63
Rot. Bonds7

About N-(3-hydroxy-1-oxooctan-2-yl)acetamide

N-(3-hydroxy-1-oxooctan-2-yl)acetamide (PubChem CID 21416538) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-(3-hydroxy-1-oxooctan-2-yl)acetamide.

Molecular Properties

Compound NameN-(3-hydroxy-1-oxooctan-2-yl)acetamide
PubChem CID21416538
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-(3-hydroxy-1-oxooctan-2-yl)acetamide
SMILESCCCCCC(O)C(C=O)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h7,9-10,14H,3-6H2,1-2H3,(H,11,13)
InChIKeyJQFPGAZPUVSBIH-UHFFFAOYSA-N
XLogP0.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dihydroxypentadecan-2-yl)acetamide
CID 54071291
N-[(2S,3R)-1,3-dihydroxyhexadecan-2-yl]acetamide
CID 21309749
N-[(2R,3R,4S,5R)-12-amino-3,4,5,6-tetrahydroxy-1-oxododecan-2-yl]acetamide
CID 54490675
N-[(2S,4R)-1,3,4-trihydroxyoctadecan-2-yl]acetamide
CID 171461966
(2S,3R)-3-hydroxy-2-methyloctanal
CID 134965378
acetic acid;pentadecane-2,3-diol
CID 175167474
4-hydroxy-3-methyldecan-2-one
CID 14120382
3-hydroxy-2-methyldecanal
CID 87290911
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide;N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87346287
N-[(2R,3R,4S,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide
CID 87277694
N-pentadecan-4-ylacetamide
CID 87419548
methyl (E)-2-acetamido-5-hydroxydodec-3-enoate
CID 58572061

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-1-oxooctan-2-yl)acetamide?
The IUPAC name of N-(3-hydroxy-1-oxooctan-2-yl)acetamide (CID 21416538) is N-(3-hydroxy-1-oxooctan-2-yl)acetamide.
What is the SMILES notation for N-(3-hydroxy-1-oxooctan-2-yl)acetamide?
The canonical SMILES for N-(3-hydroxy-1-oxooctan-2-yl)acetamide is CCCCCC(O)C(C=O)NC(C)=O.
What is the InChIKey of N-(3-hydroxy-1-oxooctan-2-yl)acetamide?
The InChIKey is JQFPGAZPUVSBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h7,9-10,14H,3-6H2,1-2H3,(H,11,13).
What are the key properties of N-(3-hydroxy-1-oxooctan-2-yl)acetamide?
N-(3-hydroxy-1-oxooctan-2-yl)acetamide has a molecular weight of 201.27 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-1-oxooctan-2-yl)acetamide is sourced from PubChem (CID 21416538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).