N-butyl-2-ethyl-N-propylhexanamide

C15H31NO — CID 87777574

IUPACN-butyl-2-ethyl-N-propylhexanamide
SMILESCCCCC(CC)C(=O)N(CCC)CCCC
InChIInChI=1S/C15H31NO/c1-5-9-11-14(8-4)15(17)16(12-7-3)13-10-6-2/h14H,5-13H2,1-4H3
InChIKeyAEMJSERFADQEEY-UHFFFAOYSA-N
MW241.42 g/mol
LogP4.24
Rot. Bonds10

About N-butyl-2-ethyl-N-propylhexanamide

N-butyl-2-ethyl-N-propylhexanamide (PubChem CID 87777574) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is N-butyl-2-ethyl-N-propylhexanamide.

Molecular Properties

Compound NameN-butyl-2-ethyl-N-propylhexanamide
PubChem CID87777574
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC NameN-butyl-2-ethyl-N-propylhexanamide
SMILESCCCCC(CC)C(=O)N(CCC)CCCC
InChIInChI=1S/C15H31NO/c1-5-9-11-14(8-4)15(17)16(12-7-3)13-10-6-2/h14H,5-13H2,1-4H3
InChIKeyAEMJSERFADQEEY-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-ethyl-N-propylhexanamide?
The IUPAC name of N-butyl-2-ethyl-N-propylhexanamide (CID 87777574) is N-butyl-2-ethyl-N-propylhexanamide.
What is the SMILES notation for N-butyl-2-ethyl-N-propylhexanamide?
The canonical SMILES for N-butyl-2-ethyl-N-propylhexanamide is CCCCC(CC)C(=O)N(CCC)CCCC.
What is the InChIKey of N-butyl-2-ethyl-N-propylhexanamide?
The InChIKey is AEMJSERFADQEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-5-9-11-14(8-4)15(17)16(12-7-3)13-10-6-2/h14H,5-13H2,1-4H3.
What are the key properties of N-butyl-2-ethyl-N-propylhexanamide?
N-butyl-2-ethyl-N-propylhexanamide has a molecular weight of 241.42 g/mol, XLogP of 4.24, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-ethyl-N-propylhexanamide is sourced from PubChem (CID 87777574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).