(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide

C20H24N2O — CID 26873419

IUPAC(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyFROGGFONBYACJB-KRWDZBQOSA-N
MW308.43 g/mol
LogP4.42
Rot. Bonds5

About (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide

(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide (PubChem CID 26873419) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide
PubChem CID26873419
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide
SMILESCC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyFROGGFONBYACJB-KRWDZBQOSA-N
XLogP4.42
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The IUPAC name of (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide (CID 26873419) is (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide.
What is the SMILES notation for (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The canonical SMILES for (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide is CC[C@H](C(=O)Nc1ccccc1N1CCCC1)c1ccccc1.
What is the InChIKey of (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide?
The InChIKey is FROGGFONBYACJB-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-17(16-10-4-3-5-11-16)20(23)21-18-12-6-7-13-19(18)22-14-8-9-15-22/h3-7,10-13,17H,2,8-9,14-15H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide?
(2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide has a molecular weight of 308.43 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-phenyl-N-(2-pyrrolidin-1-ylphenyl)butanamide is sourced from PubChem (CID 26873419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).