3-formyl-2-pentyloctanamide

C14H27NO2 — CID 174696603

IUPAC3-formyl-2-pentyloctanamide
SMILESCCCCCC(C=O)C(CCCCC)C(N)=O
InChIInChI=1S/C14H27NO2/c1-3-5-7-9-12(11-16)13(14(15)17)10-8-6-4-2/h11-13H,3-10H2,1-2H3,(H2,15,17)
InChIKeyZQXRPESXFQNNCP-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.06
Rot. Bonds11

About 3-formyl-2-pentyloctanamide

3-formyl-2-pentyloctanamide (PubChem CID 174696603) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 3-formyl-2-pentyloctanamide.

Molecular Properties

Compound Name3-formyl-2-pentyloctanamide
PubChem CID174696603
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name3-formyl-2-pentyloctanamide
SMILESCCCCCC(C=O)C(CCCCC)C(N)=O
InChIInChI=1S/C14H27NO2/c1-3-5-7-9-12(11-16)13(14(15)17)10-8-6-4-2/h11-13H,3-10H2,1-2H3,(H2,15,17)
InChIKeyZQXRPESXFQNNCP-UHFFFAOYSA-N
XLogP3.06
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-formyl-2-pentyloctanamide?
The IUPAC name of 3-formyl-2-pentyloctanamide (CID 174696603) is 3-formyl-2-pentyloctanamide.
What is the SMILES notation for 3-formyl-2-pentyloctanamide?
The canonical SMILES for 3-formyl-2-pentyloctanamide is CCCCCC(C=O)C(CCCCC)C(N)=O.
What is the InChIKey of 3-formyl-2-pentyloctanamide?
The InChIKey is ZQXRPESXFQNNCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-5-7-9-12(11-16)13(14(15)17)10-8-6-4-2/h11-13H,3-10H2,1-2H3,(H2,15,17).
What are the key properties of 3-formyl-2-pentyloctanamide?
3-formyl-2-pentyloctanamide has a molecular weight of 241.37 g/mol, XLogP of 3.06, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-formyl-2-pentyloctanamide is sourced from PubChem (CID 174696603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).