2-ethyl-N,N-dipropylhexanamide

C14H29NO — CID 5056847

IUPAC2-ethyl-N,N-dipropylhexanamide
SMILESCCCCC(CC)C(=O)N(CCC)CCC
InChIInChI=1S/C14H29NO/c1-5-9-10-13(8-4)14(16)15(11-6-2)12-7-3/h13H,5-12H2,1-4H3
InChIKeyYTPZZUAPUOFFID-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds9

About 2-ethyl-N,N-dipropylhexanamide

2-ethyl-N,N-dipropylhexanamide (PubChem CID 5056847) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-ethyl-N,N-dipropylhexanamide.

Molecular Properties

Compound Name2-ethyl-N,N-dipropylhexanamide
PubChem CID5056847
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-ethyl-N,N-dipropylhexanamide
SMILESCCCCC(CC)C(=O)N(CCC)CCC
InChIInChI=1S/C14H29NO/c1-5-9-10-13(8-4)14(16)15(11-6-2)12-7-3/h13H,5-12H2,1-4H3
InChIKeyYTPZZUAPUOFFID-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,N-dipropylhexanamide?
The IUPAC name of 2-ethyl-N,N-dipropylhexanamide (CID 5056847) is 2-ethyl-N,N-dipropylhexanamide.
What is the SMILES notation for 2-ethyl-N,N-dipropylhexanamide?
The canonical SMILES for 2-ethyl-N,N-dipropylhexanamide is CCCCC(CC)C(=O)N(CCC)CCC.
What is the InChIKey of 2-ethyl-N,N-dipropylhexanamide?
The InChIKey is YTPZZUAPUOFFID-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-9-10-13(8-4)14(16)15(11-6-2)12-7-3/h13H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-N,N-dipropylhexanamide?
2-ethyl-N,N-dipropylhexanamide has a molecular weight of 227.39 g/mol, XLogP of 3.85, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-dipropylhexanamide is sourced from PubChem (CID 5056847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).