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

C22H26N2O2 — CID 91917750

IUPACN-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-17-8-10-20(11-9-17)22(26)24-13-12-19(16-24)14-21(25)23-15-18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3,(H,23,25)
InChIKeyRHTYHLHDFIZPBL-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.42
Rot. Bonds6

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

N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide (PubChem CID 91917750) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
PubChem CID91917750
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide
SMILESCCc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C22H26N2O2/c1-2-17-8-10-20(11-9-17)22(26)24-13-12-19(16-24)14-21(25)23-15-18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3,(H,23,25)
InChIKeyRHTYHLHDFIZPBL-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-benzyl-2-[1-(4-ethylbenzoyl)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-methoxybenzoyl)pyrrolidin-3-yl]acetamide
CID 91917759
N-[(4-ethylphenyl)methyl]-2-[1-(4-methylbenzoyl)piperidin-4-yl]acetamide
CID 46295096
2-(1-benzoylpiperidin-4-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 46294982
2-(1-benzoylpiperidin-4-yl)-N-[[4-(dimethylamino)phenyl]methyl]acetamide
CID 46295005
N-benzyl-2-[1-[2-(4-methylphenyl)acetyl]pyrrolidin-3-yl]acetamide
CID 91907622
3-[2-(benzylamino)-2-oxoethyl]-N-cyclohexylpyrrolidine-1-carboxamide
CID 91917752
N-[[(3R)-1-(4-ethylbenzoyl)piperidin-3-yl]methyl]butanamide
CID 95294529
2-[(3R,4S)-1-benzoyl-3-ethylpiperidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 11912039
3-[2-(benzylamino)-2-oxoethyl]-N-(2-fluorophenyl)pyrrolidine-1-carboxamide
CID 91917768
2-cyclopentyl-N-[[4-(piperidine-1-carbonyl)phenyl]methyl]acetamide
CID 18159694
(4-benzylsulfanylphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119541802
2-[1-(benzenesulfonyl)pyrrolidin-3-yl]-N-benzylacetamide
CID 91907615

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide?
The IUPAC name of N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide (CID 91917750) is N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide?
The canonical SMILES for N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide is CCc1ccc(C(=O)N2CCC(CC(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide?
The InChIKey is RHTYHLHDFIZPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-2-17-8-10-20(11-9-17)22(26)24-13-12-19(16-24)14-21(25)23-15-18-6-4-3-5-7-18/h3-11,19H,2,12-16H2,1H3,(H,23,25).
What are the key properties of N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide?
N-benzyl-2-[1-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 3.42, 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-(4-ethylbenzoyl)pyrrolidin-3-yl]acetamide is sourced from PubChem (CID 91917750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).