2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide

C20H40N2O2 — CID 2933909

IUPAC2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide
SMILESCCCCC(CC)C(=O)NCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C20H40N2O2/c1-5-9-13-17(7-3)19(23)21-15-11-12-16-22-20(24)18(8-4)14-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQRZVUHFUVORLGW-UHFFFAOYSA-N
MW340.55 g/mol
LogP4.43
Rot. Bonds15

About 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide

2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide (PubChem CID 2933909) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide
PubChem CID2933909
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide
SMILESCCCCC(CC)C(=O)NCCCCNC(=O)C(CC)CCCC
InChIInChI=1S/C20H40N2O2/c1-5-9-13-17(7-3)19(23)21-15-11-12-16-22-20(24)18(8-4)14-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24)
InChIKeyQRZVUHFUVORLGW-UHFFFAOYSA-N
XLogP4.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide?
The IUPAC name of 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide (CID 2933909) is 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide?
The canonical SMILES for 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide is CCCCC(CC)C(=O)NCCCCNC(=O)C(CC)CCCC.
What is the InChIKey of 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide?
The InChIKey is QRZVUHFUVORLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-5-9-13-17(7-3)19(23)21-15-11-12-16-22-20(24)18(8-4)14-10-6-2/h17-18H,5-16H2,1-4H3,(H,21,23)(H,22,24).
What are the key properties of 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide?
2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide has a molecular weight of 340.55 g/mol, XLogP of 4.43, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(2-ethylhexanoylamino)butyl]hexanamide is sourced from PubChem (CID 2933909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).