2-ethyl-N,N-di(propan-2-yl)hexanamide

C14H29NO — CID 559438

IUPAC2-ethyl-N,N-di(propan-2-yl)hexanamide
SMILESCCCCC(CC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-7-9-10-13(8-2)14(16)15(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyJJJCXJAGLMUYOV-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.85
Rot. Bonds7

About 2-ethyl-N,N-di(propan-2-yl)hexanamide

2-ethyl-N,N-di(propan-2-yl)hexanamide (PubChem CID 559438) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 2-ethyl-N,N-di(propan-2-yl)hexanamide.

Molecular Properties

Compound Name2-ethyl-N,N-di(propan-2-yl)hexanamide
PubChem CID559438
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name2-ethyl-N,N-di(propan-2-yl)hexanamide
SMILESCCCCC(CC)C(=O)N(C(C)C)C(C)C
InChIInChI=1S/C14H29NO/c1-7-9-10-13(8-2)14(16)15(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3
InChIKeyJJJCXJAGLMUYOV-UHFFFAOYSA-N
XLogP3.85
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
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-di(propan-2-yl)hexanamide?
The IUPAC name of 2-ethyl-N,N-di(propan-2-yl)hexanamide (CID 559438) is 2-ethyl-N,N-di(propan-2-yl)hexanamide.
What is the SMILES notation for 2-ethyl-N,N-di(propan-2-yl)hexanamide?
The canonical SMILES for 2-ethyl-N,N-di(propan-2-yl)hexanamide is CCCCC(CC)C(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-ethyl-N,N-di(propan-2-yl)hexanamide?
The InChIKey is JJJCXJAGLMUYOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-9-10-13(8-2)14(16)15(11(3)4)12(5)6/h11-13H,7-10H2,1-6H3.
What are the key properties of 2-ethyl-N,N-di(propan-2-yl)hexanamide?
2-ethyl-N,N-di(propan-2-yl)hexanamide has a molecular weight of 227.39 g/mol, XLogP of 3.85, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,N-di(propan-2-yl)hexanamide is sourced from PubChem (CID 559438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).