2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

C21H28N4O2 — CID 7775025

IUPAC2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-23-10-4-8-19(23)20-9-5-11-25(20)16-21(26)22-17-6-2-3-7-18(17)24-12-14-27-15-13-24/h2-4,6-8,10,20H,5,9,11-16H2,1H3,(H,22,26)/t20-/m0/s1
InChIKeyWKRSKOLXRTVNHO-FQEVSTJZSA-N
MW368.48 g/mol
LogP2.64
Rot. Bonds5

About 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide

2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (PubChem CID 7775025) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
PubChem CID7775025
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide
SMILESCn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1N1CCOCC1
InChIInChI=1S/C21H28N4O2/c1-23-10-4-8-19(23)20-9-5-11-25(20)16-21(26)22-17-6-2-3-7-18(17)24-12-14-27-15-13-24/h2-4,6-8,10,20H,5,9,11-16H2,1H3,(H,22,26)/t20-/m0/s1
InChIKeyWKRSKOLXRTVNHO-FQEVSTJZSA-N
XLogP2.64
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
N-(2-bromophenyl)-2-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976052
N-(2-ethylphenyl)-2-[[2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]acetamide
CID 8976124
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-chlorophenyl)-2-[3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 86803809
N-(2-chlorophenyl)-2-[(3R)-3-(1-methylpyrrol-2-yl)morpholin-4-yl]acetamide
CID 99631648
N-(2-morpholin-4-ylphenyl)-2-pyrrol-1-ylacetamide
CID 110688626
N-(6-acetyl-1,3-benzodioxol-5-yl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8975070
N-(2-morpholin-4-ylphenyl)-3-oxobutanamide
CID 18071535
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide (CID 7775025) is 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
The InChIKey is WKRSKOLXRTVNHO-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-23-10-4-8-19(23)20-9-5-11-25(20)16-21(26)22-17-6-2-3-7-18(17)24-12-14-27-15-13-24/h2-4,6-8,10,20H,5,9,11-16H2,1H3,(H,22,26)/t20-/m0/s1.
What are the key properties of 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide?
2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 7775025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).