4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide

C17H26N2O — CID 2099229

IUPAC4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN2CCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-6-10-19-8-4-5-9-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyPRXIZXLRHWBLNL-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.43
Rot. Bonds5

About 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide

4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide (PubChem CID 2099229) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide.

Molecular Properties

Compound Name4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide
PubChem CID2099229
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide
SMILESCc1cc(C)c(NC(=O)CCCN2CCCC2)c(C)c1
InChIInChI=1S/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-6-10-19-8-4-5-9-19/h11-12H,4-10H2,1-3H3,(H,18,20)
InChIKeyPRXIZXLRHWBLNL-UHFFFAOYSA-N
XLogP3.43
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide?
The IUPAC name of 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide (CID 2099229) is 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide.
What is the SMILES notation for 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide?
The canonical SMILES for 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide is Cc1cc(C)c(NC(=O)CCCN2CCCC2)c(C)c1.
What is the InChIKey of 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide?
The InChIKey is PRXIZXLRHWBLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13-11-14(2)17(15(3)12-13)18-16(20)7-6-10-19-8-4-5-9-19/h11-12H,4-10H2,1-3H3,(H,18,20).
What are the key properties of 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide?
4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide has a molecular weight of 274.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-yl-N-(2,4,6-trimethylphenyl)butanamide is sourced from PubChem (CID 2099229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).