3-butyl-N-propan-2-yloctanamide

C15H31NO — CID 90867024

IUPAC3-butyl-N-propan-2-yloctanamide
SMILESCCCCCC(CCCC)CC(=O)NC(C)C
InChIInChI=1S/C15H31NO/c1-5-7-9-11-14(10-8-6-2)12-15(17)16-13(3)4/h13-14H,5-12H2,1-4H3,(H,16,17)
InChIKeyYRNHFCKWPORZPQ-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.29
Rot. Bonds10

About 3-butyl-N-propan-2-yloctanamide

3-butyl-N-propan-2-yloctanamide (PubChem CID 90867024) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-butyl-N-propan-2-yloctanamide.

Molecular Properties

Compound Name3-butyl-N-propan-2-yloctanamide
PubChem CID90867024
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-butyl-N-propan-2-yloctanamide
SMILESCCCCCC(CCCC)CC(=O)NC(C)C
InChIInChI=1S/C15H31NO/c1-5-7-9-11-14(10-8-6-2)12-15(17)16-13(3)4/h13-14H,5-12H2,1-4H3,(H,16,17)
InChIKeyYRNHFCKWPORZPQ-UHFFFAOYSA-N
XLogP4.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.29
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 3-butyl-N-propan-2-yloctanamide?
The IUPAC name of 3-butyl-N-propan-2-yloctanamide (CID 90867024) is 3-butyl-N-propan-2-yloctanamide.
What is the SMILES notation for 3-butyl-N-propan-2-yloctanamide?
The canonical SMILES for 3-butyl-N-propan-2-yloctanamide is CCCCCC(CCCC)CC(=O)NC(C)C.
What is the InChIKey of 3-butyl-N-propan-2-yloctanamide?
The InChIKey is YRNHFCKWPORZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-7-9-11-14(10-8-6-2)12-15(17)16-13(3)4/h13-14H,5-12H2,1-4H3,(H,16,17).
What are the key properties of 3-butyl-N-propan-2-yloctanamide?
3-butyl-N-propan-2-yloctanamide has a molecular weight of 241.42 g/mol, XLogP of 4.29, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-N-propan-2-yloctanamide is sourced from PubChem (CID 90867024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).