2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide

C21H24N2O2 — CID 2971289

IUPAC2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-19(16-8-4-3-5-9-16)20(24)22-18-12-10-17(11-13-18)21(25)23-14-6-7-15-23/h3-5,8-13,19H,2,6-7,14-15H2,1H3,(H,22,24)
InChIKeyBLCIJPHBWYCRCZ-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.05
Rot. Bonds5

About 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide

2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide (PubChem CID 2971289) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide.

Molecular Properties

Compound Name2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
PubChem CID2971289
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide
SMILESCCC(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1
InChIInChI=1S/C21H24N2O2/c1-2-19(16-8-4-3-5-9-16)20(24)22-18-12-10-17(11-13-18)21(25)23-14-6-7-15-23/h3-5,8-13,19H,2,6-7,14-15H2,1H3,(H,22,24)
InChIKeyBLCIJPHBWYCRCZ-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The IUPAC name of 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide (CID 2971289) is 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide.
What is the SMILES notation for 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The canonical SMILES for 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide is CCC(C(=O)Nc1ccc(C(=O)N2CCCC2)cc1)c1ccccc1.
What is the InChIKey of 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
The InChIKey is BLCIJPHBWYCRCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-2-19(16-8-4-3-5-9-16)20(24)22-18-12-10-17(11-13-18)21(25)23-14-6-7-15-23/h3-5,8-13,19H,2,6-7,14-15H2,1H3,(H,22,24).
What are the key properties of 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide?
2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide has a molecular weight of 336.44 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-(pyrrolidine-1-carbonyl)phenyl]butanamide is sourced from PubChem (CID 2971289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).