N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide

C22H28N2O — CID 143479191

IUPACN-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1ccc(-c2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C22H28N2O/c1-3-7-22(25)23-17(2)18-10-12-19(13-11-18)20-8-6-9-21(16-20)24-14-4-5-15-24/h6,8-13,16-17H,3-5,7,14-15H2,1-2H3,(H,23,25)
InChIKeyWLHSVYCCOKDOPB-UHFFFAOYSA-N
MW336.48 g/mol
LogP4.93
Rot. Bonds6

About N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide

N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide (PubChem CID 143479191) has the molecular formula C22H28N2O and a molecular weight of 336.48 g/mol. Its IUPAC name is N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide.

Molecular Properties

Compound NameN-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide
PubChem CID143479191
Molecular FormulaC22H28N2O
Molecular Weight336.48 g/mol
Exact Mass336.22
IUPAC NameN-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide
SMILESCCCC(=O)NC(C)c1ccc(-c2cccc(N3CCCC3)c2)cc1
InChIInChI=1S/C22H28N2O/c1-3-7-22(25)23-17(2)18-10-12-19(13-11-18)20-8-6-9-21(16-20)24-14-4-5-15-24/h6,8-13,16-17H,3-5,7,14-15H2,1-2H3,(H,23,25)
InChIKeyWLHSVYCCOKDOPB-UHFFFAOYSA-N
XLogP4.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide?
The IUPAC name of N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide (CID 143479191) is N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide.
What is the SMILES notation for N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide?
The canonical SMILES for N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide is CCCC(=O)NC(C)c1ccc(-c2cccc(N3CCCC3)c2)cc1.
What is the InChIKey of N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide?
The InChIKey is WLHSVYCCOKDOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O/c1-3-7-22(25)23-17(2)18-10-12-19(13-11-18)20-8-6-9-21(16-20)24-14-4-5-15-24/h6,8-13,16-17H,3-5,7,14-15H2,1-2H3,(H,23,25).
What are the key properties of N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide?
N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide has a molecular weight of 336.48 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-pyrrolidin-1-ylphenyl)phenyl]ethyl]butanamide is sourced from PubChem (CID 143479191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).