N-octan-2-ylacetamide

C10H21NO — CID 529463

IUPACN-octan-2-ylacetamide
SMILESCCCCCCC(C)NC(C)=O
InChIInChI=1S/C10H21NO/c1-4-5-6-7-8-9(2)11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyDNVCVNWQDMXRNF-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.48
Rot. Bonds6

About N-octan-2-ylacetamide

N-octan-2-ylacetamide (PubChem CID 529463) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is N-octan-2-ylacetamide.

Molecular Properties

Compound NameN-octan-2-ylacetamide
PubChem CID529463
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC NameN-octan-2-ylacetamide
SMILESCCCCCCC(C)NC(C)=O
InChIInChI=1S/C10H21NO/c1-4-5-6-7-8-9(2)11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12)
InChIKeyDNVCVNWQDMXRNF-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-octan-2-ylacetamide?
The IUPAC name of N-octan-2-ylacetamide (CID 529463) is N-octan-2-ylacetamide.
What is the SMILES notation for N-octan-2-ylacetamide?
The canonical SMILES for N-octan-2-ylacetamide is CCCCCCC(C)NC(C)=O.
What is the InChIKey of N-octan-2-ylacetamide?
The InChIKey is DNVCVNWQDMXRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-5-6-7-8-9(2)11-10(3)12/h9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-octan-2-ylacetamide?
N-octan-2-ylacetamide has a molecular weight of 171.28 g/mol, XLogP of 2.48, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-2-ylacetamide is sourced from PubChem (CID 529463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).