2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride

C17H22ClN3O2 — CID 6602575

IUPAC2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H21N3O2.ClH/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20;/h1-4,7-10,14,18H,5-6,11-13H2,(H,19,21);1H
InChIKeyHRIGCYHTUZFJQU-UHFFFAOYSA-N
MW335.83 g/mol
LogP2.61
Rot. Bonds6

About 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride

2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride (PubChem CID 6602575) has the molecular formula C17H22ClN3O2 and a molecular weight of 335.83 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
PubChem CID6602575
Molecular FormulaC17H22ClN3O2
Molecular Weight335.83 g/mol
Exact Mass335.14
IUPAC Name2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride
SMILESCl.O=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1
InChIInChI=1S/C17H21N3O2.ClH/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20;/h1-4,7-10,14,18H,5-6,11-13H2,(H,19,21);1H
InChIKeyHRIGCYHTUZFJQU-UHFFFAOYSA-N
XLogP2.61
TPSA55.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.83
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[(5S)-3-[1-(3-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273689
N-[[(5S)-3-[1-(4-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273690
N-[2-Oxo-3-(1-phenyl-1H-pyrrol-3-yl)-oxazolidin-5-ylmethyl]-acetamide
CID 5273687
N-[[(5S)-3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 5273688
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide
CID 645953
N-(4-(4-methoxypiperidin-1-yl)phenyl)-2-(1H-pyrrol-1-yl)acetamide
CID 71809684
N-(4-fluorophenyl)-2-[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]acetamide
CID 75385901
4-{4-Oxo-4H,5H-pyrrolo[1,2-A]quinoxalin-5-YL}-N-[(oxolan-2-YL)methyl]butanamide
CID 6624752
N1-(pyridin-4-yl)-N2-((tetrahydrofuran-2-yl)methyl)oxalamide
CID 18588751
N-[[1-(2-fluorophenyl)pyrrol-2-yl]methyl]-1-(oxolan-2-yl)methanamine
CID 4267478
N-[[3-[1-(2-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158000
N-[[3-[1-(3-fluorophenyl)pyrrol-3-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 21158001

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride (CID 6602575) is 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride is Cl.O=C(CNCC1CCCO1)Nc1ccccc1-n1cccc1.
What is the InChIKey of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
The InChIKey is HRIGCYHTUZFJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2.ClH/c21-17(13-18-12-14-6-5-11-22-14)19-15-7-1-2-8-16(15)20-9-3-4-10-20;/h1-4,7-10,14,18H,5-6,11-13H2,(H,19,21);1H.
What are the key properties of 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride?
2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride has a molecular weight of 335.83 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylamino)-N-(2-pyrrol-1-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 6602575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).