N-propan-2-yloctanamide

C11H23NO — CID 3454942

IUPACN-propan-2-yloctanamide
SMILESCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9-11(13)12-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyVEELBAIKCLTEML-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.87
Rot. Bonds7

About N-propan-2-yloctanamide

N-propan-2-yloctanamide (PubChem CID 3454942) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is N-propan-2-yloctanamide.

Molecular Properties

Compound NameN-propan-2-yloctanamide
PubChem CID3454942
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC NameN-propan-2-yloctanamide
SMILESCCCCCCCC(=O)NC(C)C
InChIInChI=1S/C11H23NO/c1-4-5-6-7-8-9-11(13)12-10(2)3/h10H,4-9H2,1-3H3,(H,12,13)
InChIKeyVEELBAIKCLTEML-UHFFFAOYSA-N
XLogP2.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.87
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-propan-2-yloctanamide?
The IUPAC name of N-propan-2-yloctanamide (CID 3454942) is N-propan-2-yloctanamide.
What is the SMILES notation for N-propan-2-yloctanamide?
The canonical SMILES for N-propan-2-yloctanamide is CCCCCCCC(=O)NC(C)C.
What is the InChIKey of N-propan-2-yloctanamide?
The InChIKey is VEELBAIKCLTEML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-4-5-6-7-8-9-11(13)12-10(2)3/h10H,4-9H2,1-3H3,(H,12,13).
What are the key properties of N-propan-2-yloctanamide?
N-propan-2-yloctanamide has a molecular weight of 185.31 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yloctanamide is sourced from PubChem (CID 3454942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).