2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide

C24H46N2O2 — CID 71390925

IUPAC2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide
SMILESCCCCC(CC)C(=O)NC1C(C)(C)C(NC(=O)C(CC)CCCC)C1(C)C
InChIInChI=1S/C24H46N2O2/c1-9-13-15-17(11-3)19(27)25-21-23(5,6)22(24(21,7)8)26-20(28)18(12-4)16-14-10-2/h17-18,21-22H,9-16H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyGPGXOGJVNFDFHT-UHFFFAOYSA-N
MW394.64 g/mol
LogP5.45
Rot. Bonds12

About 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide

2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide (PubChem CID 71390925) has the molecular formula C24H46N2O2 and a molecular weight of 394.64 g/mol. Its IUPAC name is 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide
PubChem CID71390925
Molecular FormulaC24H46N2O2
Molecular Weight394.64 g/mol
Exact Mass394.36
IUPAC Name2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide
SMILESCCCCC(CC)C(=O)NC1C(C)(C)C(NC(=O)C(CC)CCCC)C1(C)C
InChIInChI=1S/C24H46N2O2/c1-9-13-15-17(11-3)19(27)25-21-23(5,6)22(24(21,7)8)26-20(28)18(12-4)16-14-10-2/h17-18,21-22H,9-16H2,1-8H3,(H,25,27)(H,26,28)
InChIKeyGPGXOGJVNFDFHT-UHFFFAOYSA-N
XLogP5.45
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.64
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide?
The IUPAC name of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide (CID 71390925) is 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide is CCCCC(CC)C(=O)NC1C(C)(C)C(NC(=O)C(CC)CCCC)C1(C)C.
What is the InChIKey of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide?
The InChIKey is GPGXOGJVNFDFHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N2O2/c1-9-13-15-17(11-3)19(27)25-21-23(5,6)22(24(21,7)8)26-20(28)18(12-4)16-14-10-2/h17-18,21-22H,9-16H2,1-8H3,(H,25,27)(H,26,28).
What are the key properties of 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide?
2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide has a molecular weight of 394.64 g/mol, XLogP of 5.45, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(2-ethylhexanoylamino)-2,2,4,4-tetramethylcyclobutyl]hexanamide is sourced from PubChem (CID 71390925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).