2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide

C19H38N2O2 — CID 2931883

IUPAC2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
SMILESCCCCC(CC)C(=O)NCC(C)NC(=O)C(CC)CCCC
InChIInChI=1S/C19H38N2O2/c1-6-10-12-16(8-3)18(22)20-14-15(5)21-19(23)17(9-4)13-11-7-2/h15-17H,6-14H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyNQBVGWKSYOLZMJ-UHFFFAOYSA-N
MW326.53 g/mol
LogP4.04
Rot. Bonds13

About 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide

2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide (PubChem CID 2931883) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
PubChem CID2931883
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide
SMILESCCCCC(CC)C(=O)NCC(C)NC(=O)C(CC)CCCC
InChIInChI=1S/C19H38N2O2/c1-6-10-12-16(8-3)18(22)20-14-15(5)21-19(23)17(9-4)13-11-7-2/h15-17H,6-14H2,1-5H3,(H,20,22)(H,21,23)
InChIKeyNQBVGWKSYOLZMJ-UHFFFAOYSA-N
XLogP4.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide?
The IUPAC name of 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide (CID 2931883) is 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide is CCCCC(CC)C(=O)NCC(C)NC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide?
The InChIKey is NQBVGWKSYOLZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-6-10-12-16(8-3)18(22)20-14-15(5)21-19(23)17(9-4)13-11-7-2/h15-17H,6-14H2,1-5H3,(H,20,22)(H,21,23).
What are the key properties of 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide?
2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide has a molecular weight of 326.53 g/mol, XLogP of 4.04, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(2-ethylhexanoylamino)propyl]hexanamide is sourced from PubChem (CID 2931883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).