N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide

C18H22N2O2 — CID 94821980

IUPACN-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NCC[C@H]1CCCO1
InChIInChI=1S/C18H22N2O2/c21-18(19-10-9-17-4-3-13-22-17)14-15-5-7-16(8-6-15)20-11-1-2-12-20/h1-2,5-8,11-12,17H,3-4,9-10,13-14H2,(H,19,21)/t17-/m1/s1
InChIKeyMXQWITXWMYWFDM-QGZVFWFLSA-N
MW298.39 g/mol
LogP2.71
Rot. Bonds6

About N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide

N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide (PubChem CID 94821980) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
PubChem CID94821980
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC NameN-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
SMILESO=C(Cc1ccc(-n2cccc2)cc1)NCC[C@H]1CCCO1
InChIInChI=1S/C18H22N2O2/c21-18(19-10-9-17-4-3-13-22-17)14-15-5-7-16(8-6-15)20-11-1-2-12-20/h1-2,5-8,11-12,17H,3-4,9-10,13-14H2,(H,19,21)/t17-/m1/s1
InChIKeyMXQWITXWMYWFDM-QGZVFWFLSA-N
XLogP2.71
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2R)-oxolan-2-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 25343764
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143
N-(cyclohexylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 43071662
N-[2-(4-methylmorpholin-2-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 110741493
1-benzyl-N-[2-[(2R)-oxolan-2-yl]ethyl]pyrrole-2-carboxamide
CID 95934905
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide
CID 172615647
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
2-[2-(methylamino)ethyl]-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 104547635
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
N-[(3-fluorophenyl)methyl]-N-(oxolan-2-ylmethyl)-2-(4-pyrrol-1-ylphenyl)acetamide
CID 47087966
N-[2-[(2S)-oxolan-2-yl]ethyl]-1,3-dihydroisoindole-2-carboxamide
CID 95612335
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The IUPAC name of N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide (CID 94821980) is N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide is O=C(Cc1ccc(-n2cccc2)cc1)NCC[C@H]1CCCO1.
What is the InChIKey of N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
The InChIKey is MXQWITXWMYWFDM-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H22N2O2/c21-18(19-10-9-17-4-3-13-22-17)14-15-5-7-16(8-6-15)20-11-1-2-12-20/h1-2,5-8,11-12,17H,3-4,9-10,13-14H2,(H,19,21)/t17-/m1/s1.
What are the key properties of N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide?
N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide has a molecular weight of 298.39 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2R)-oxolan-2-yl]ethyl]-2-(4-pyrrol-1-ylphenyl)acetamide is sourced from PubChem (CID 94821980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).