N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide

C15H22N2O2 — CID 25270146

IUPACN-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1
InChIInChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBDYQJTXTXBSBMC-LBPRGKRZSA-N
MW262.35 g/mol
LogP2.19
Rot. Bonds5

About N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide

N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide (PubChem CID 25270146) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide.

Molecular Properties

Compound NameN-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide
PubChem CID25270146
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide
SMILESCCCC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1
InChIInChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1
InChIKeyBDYQJTXTXBSBMC-LBPRGKRZSA-N
XLogP2.19
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The IUPAC name of N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide (CID 25270146) is N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide.
What is the SMILES notation for N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The canonical SMILES for N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide is CCCC(=O)N[C@H]1CCN(c2cccc(OC)c2)C1.
What is the InChIKey of N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide?
The InChIKey is BDYQJTXTXBSBMC-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-3-5-15(18)16-12-8-9-17(11-12)13-6-4-7-14(10-13)19-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3,(H,16,18)/t12-/m0/s1.
What are the key properties of N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide?
N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide has a molecular weight of 262.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-(3-methoxyphenyl)pyrrolidin-3-yl]butanamide is sourced from PubChem (CID 25270146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).