N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide

C23H30N2O2 — CID 51947652

IUPACN-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
SMILESCOc1cccc([C@@H](CNC(=O)CCCc2ccccc2)N2CCCC2)c1
InChIInChI=1S/C23H30N2O2/c1-27-21-13-8-12-20(17-21)22(25-15-5-6-16-25)18-24-23(26)14-7-11-19-9-3-2-4-10-19/h2-4,8-10,12-13,17,22H,5-7,11,14-16,18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyVATJZIFLHDDRNA-JOCHJYFZSA-N
MW366.51 g/mol
LogP3.97
Rot. Bonds9

About N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide

N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide (PubChem CID 51947652) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide.

Molecular Properties

Compound NameN-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
PubChem CID51947652
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC NameN-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide
SMILESCOc1cccc([C@@H](CNC(=O)CCCc2ccccc2)N2CCCC2)c1
InChIInChI=1S/C23H30N2O2/c1-27-21-13-8-12-20(17-21)22(25-15-5-6-16-25)18-24-23(26)14-7-11-19-9-3-2-4-10-19/h2-4,8-10,12-13,17,22H,5-7,11,14-16,18H2,1H3,(H,24,26)/t22-/m1/s1
InChIKeyVATJZIFLHDDRNA-JOCHJYFZSA-N
XLogP3.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-thiophen-2-ylbutanamide
CID 43005713
N-[2-(3-methoxyphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 16811467
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
CID 86982225
3-amino-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119952738
1,3-bis[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]urea
CID 24658456
3-cyclohexyl-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 43005794
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 119832172
N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 78791561
2-(4-aminophenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide;dihydrochloride
CID 119832171
2-(2,5-dimethoxyphenyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 78822011
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-phenylpropanamide
CID 112506817
2-(4-bromophenoxy)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 43003277

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide?
The IUPAC name of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide (CID 51947652) is N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide.
What is the SMILES notation for N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide?
The canonical SMILES for N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide is COc1cccc([C@@H](CNC(=O)CCCc2ccccc2)N2CCCC2)c1.
What is the InChIKey of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide?
The InChIKey is VATJZIFLHDDRNA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-27-21-13-8-12-20(17-21)22(25-15-5-6-16-25)18-24-23(26)14-7-11-19-9-3-2-4-10-19/h2-4,8-10,12-13,17,22H,5-7,11,14-16,18H2,1H3,(H,24,26)/t22-/m1/s1.
What are the key properties of N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide?
N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide has a molecular weight of 366.51 g/mol, XLogP of 3.97, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-phenylbutanamide is sourced from PubChem (CID 51947652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).