2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide

C18H35N3O2 — CID 832075

IUPAC2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C18H35N3O2/c1-5-15(6-2)17(22)19-9-10-20-11-13-21(14-12-20)18(23)16(7-3)8-4/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyWOFLPTXMZYCRDP-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.12
Rot. Bonds9

About 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide

2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide (PubChem CID 832075) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide
PubChem CID832075
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Name2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide
SMILESCCC(CC)C(=O)NCCN1CCN(C(=O)C(CC)CC)CC1
InChIInChI=1S/C18H35N3O2/c1-5-15(6-2)17(22)19-9-10-20-11-13-21(14-12-20)18(23)16(7-3)8-4/h15-16H,5-14H2,1-4H3,(H,19,22)
InChIKeyWOFLPTXMZYCRDP-UHFFFAOYSA-N
XLogP2.12
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide?
The IUPAC name of 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide (CID 832075) is 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide?
The canonical SMILES for 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide is CCC(CC)C(=O)NCCN1CCN(C(=O)C(CC)CC)CC1.
What is the InChIKey of 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide?
The InChIKey is WOFLPTXMZYCRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3O2/c1-5-15(6-2)17(22)19-9-10-20-11-13-21(14-12-20)18(23)16(7-3)8-4/h15-16H,5-14H2,1-4H3,(H,19,22).
What are the key properties of 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide?
2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide has a molecular weight of 325.50 g/mol, XLogP of 2.12, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-[4-(2-ethylbutanoyl)piperazin-1-yl]ethyl]butanamide is sourced from PubChem (CID 832075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).