N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide

C22H26N2O2 — CID 91907622

IUPACN-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
SMILESCc1ccc(CC(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)14-22(26)24-12-11-20(16-24)13-21(25)23-15-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,23,25)
InChIKeyVIHNKCDBILDLSF-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.09
Rot. Bonds6

About N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide

N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide (PubChem CID 91907622) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
PubChem CID91907622
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
SMILESCc1ccc(CC(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)14-22(26)24-12-11-20(16-24)13-21(25)23-15-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,23,25)
InChIKeyVIHNKCDBILDLSF-UHFFFAOYSA-N
XLogP3.09
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide 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-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
CID 91917750
1-[3-(methylaminomethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 55168474
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-benzyl-2-[1-(4-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
2-(1-cyclopropylpiperidin-4-yl)-N-[(4-methylphenyl)methyl]acetamide
CID 110754744
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615
N-[(4-ethylphenyl)methyl]-2-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 46295096
N-[2-[(4-methylphenyl)methylcarbamoyl]phenyl]-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 55607859
1-[3-(2-bromoethyl)pyrrolidin-1-yl]-2-phenylethanone
CID 114801701
N-benzyl-2-(1-cyclopropylpiperidin-4-yl)acetamide
CID 110754741
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide (CID 91907622) is N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide is Cc1ccc(CC(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
The InChIKey is VIHNKCDBILDLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-17-7-9-18(10-8-17)14-22(26)24-12-11-20(16-24)13-21(25)23-15-19-5-3-2-4-6-19/h2-10,20H,11-16H2,1H3,(H,23,25).
What are the key properties of N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide?
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91907622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).