2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide

C17H24N2O2 — CID 974086

IUPAC2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-3-13(4-2)16(20)18-15-9-7-8-14(12-15)17(21)19-10-5-6-11-19/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyVSNCJSQDCYMPMY-UHFFFAOYSA-N
MW288.39 g/mol
LogP3.30
Rot. Bonds5

About 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide

2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 974086) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID974086
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC Name2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1
InChIInChI=1S/C17H24N2O2/c1-3-13(4-2)16(20)18-15-9-7-8-14(12-15)17(21)19-10-5-6-11-19/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20)
InChIKeyVSNCJSQDCYMPMY-UHFFFAOYSA-N
XLogP3.30
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 151118
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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 974086) is 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide is CCC(CC)C(=O)Nc1cccc(C(=O)N2CCCC2)c1.
What is the InChIKey of 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is VSNCJSQDCYMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-3-13(4-2)16(20)18-15-9-7-8-14(12-15)17(21)19-10-5-6-11-19/h7-9,12-13H,3-6,10-11H2,1-2H3,(H,18,20).
What are the key properties of 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide?
2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 288.39 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 974086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).