N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide

C21H28N4O2 — CID 8976124

IUPACN-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C21H28N4O2/c1-3-16-8-4-5-9-17(16)23-20(26)14-22-21(27)15-25-13-7-11-19(25)18-10-6-12-24(18)2/h4-6,8-10,12,19H,3,7,11,13-15H2,1-2H3,(H,22,27)(H,23,26)/t19-/m1/s1
InChIKeyRJZZIZBGRDXKHD-LJQANCHMSA-N
MW368.48 g/mol
LogP2.48
Rot. Bonds7

About N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide

N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide (PubChem CID 8976124) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
PubChem CID8976124
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
SMILESCCc1ccccc1NC(=O)CNC(=O)CN1CCC[C@@H]1c1cccn1C
InChIInChI=1S/C21H28N4O2/c1-3-16-8-4-5-9-17(16)23-20(26)14-22-21(27)15-25-13-7-11-19(25)18-10-6-12-24(18)2/h4-6,8-10,12,19H,3,7,11,13-15H2,1-2H3,(H,22,27)(H,23,26)/t19-/m1/s1
InChIKeyRJZZIZBGRDXKHD-LJQANCHMSA-N
XLogP2.48
TPSA66.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]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-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
2-[[2-[2-(1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]acetyl]amino]-N-(2-ethylphenyl)acetamide
CID 136514673
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
N-[2-(2-fluorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8976486
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
CID 7775025
N-(4-fluorophenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976718
N-(4-fluorophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8976713
N-(2-ethylphenyl)-2-[(2S)-2-(4-hydroxyphenyl)pyrrolidin-1-yl]acetamide
CID 94178915
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
N-[2-(2,4-dichlorophenyl)ethyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973689

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide (CID 8976124) is N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide is CCc1ccccc1NC(=O)CNC(=O)CN1CCC[C@@H]1c1cccn1C.
What is the InChIKey of N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
The InChIKey is RJZZIZBGRDXKHD-LJQANCHMSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-16-8-4-5-9-17(16)23-20(26)14-22-21(27)15-25-13-7-11-19(25)18-10-6-12-24(18)2/h4-6,8-10,12,19H,3,7,11,13-15H2,1-2H3,(H,22,27)(H,23,26)/t19-/m1/s1.
What are the key properties of N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide?
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8976124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).