N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

C19H25N3OS — CID 60509890

IUPACN-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCCC2c2ccsc2)cc1
InChIInChI=1S/C19H25N3OS/c1-21(2)17-7-5-15(6-8-17)12-20-19(23)13-22-10-3-4-18(22)16-9-11-24-14-16/h5-9,11,14,18H,3-4,10,12-13H2,1-2H3,(H,20,23)
InChIKeyOKXPCEOBMAOYCA-UHFFFAOYSA-N
MW343.50 g/mol
LogP3.27
Rot. Bonds6

About N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide

N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (PubChem CID 60509890) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
PubChem CID60509890
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCCC2c2ccsc2)cc1
InChIInChI=1S/C19H25N3OS/c1-21(2)17-7-5-15(6-8-17)12-20-19(23)13-22-10-3-4-18(22)16-9-11-24-14-16/h5-9,11,14,18H,3-4,10,12-13H2,1-2H3,(H,20,23)
InChIKeyOKXPCEOBMAOYCA-UHFFFAOYSA-N
XLogP3.27
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(dimethylamino)phenyl]methyl]-2-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 41083446
N,N-dimethyl-2-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087259
N,N-dimethyl-2-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]acetamide
CID 94087258
(2S)-N-[(4-hydroxyphenyl)methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94054166
N-[(4-fluorophenyl)methyl]-2-[(2R)-2-phenylpyrrolidin-1-yl]acetamide
CID 41456048
N-[(4-fluorophenyl)methyl]-2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]acetamide
CID 17402111
N-[(4-methoxyphenyl)methyl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-yl]acetamide
CID 9446683
(2S)-N-[[2-(dimethylamino)-4-pyridinyl]methyl]-2-thiophen-3-ylpyrrolidine-1-carboxamide
CID 94096719
3-(2-thiophen-3-ylpyrrolidin-1-yl)propanoic acid
CID 119134694
N-[[4-(dimethylamino)phenyl]methyl]-2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]acetamide
CID 110020180
N-(2-thiophen-2-ylethylcarbamoyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703418
N-(1-naphthalen-2-ylethyl)-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide
CID 55703547

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide (CID 60509890) is N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is CN(C)c1ccc(CNC(=O)CN2CCCC2c2ccsc2)cc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
The InChIKey is OKXPCEOBMAOYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-21(2)17-7-5-15(6-8-17)12-20-19(23)13-22-10-3-4-18(22)16-9-11-24-14-16/h5-9,11,14,18H,3-4,10,12-13H2,1-2H3,(H,20,23).
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide?
N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide has a molecular weight of 343.50 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-2-(2-thiophen-3-ylpyrrolidin-1-yl)acetamide is sourced from PubChem (CID 60509890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).