(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide

C18H22N2O2 — CID 129328039

IUPAC(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)n1cccc1
InChIInChI=1S/C18H22N2O2/c1-14(20-10-5-6-11-20)18(21)19-13-16-9-12-22-17(16)15-7-3-2-4-8-15/h2-8,10-11,14,16-17H,9,12-13H2,1H3,(H,19,21)/t14-,16+,17+/m0/s1
InChIKeyXWIAEVYEWKMAJC-USXIJHARSA-N
MW298.39 g/mol
LogP2.94
Rot. Bonds5

About (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide

(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide (PubChem CID 129328039) has the molecular formula C18H22N2O2 and a molecular weight of 298.39 g/mol. Its IUPAC name is (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
PubChem CID129328039
Molecular FormulaC18H22N2O2
Molecular Weight298.39 g/mol
Exact Mass298.17
IUPAC Name(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
SMILESC[C@@H](C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)n1cccc1
InChIInChI=1S/C18H22N2O2/c1-14(20-10-5-6-11-20)18(21)19-13-16-9-12-22-17(16)15-7-3-2-4-8-15/h2-8,10-11,14,16-17H,9,12-13H2,1H3,(H,19,21)/t14-,16+,17+/m0/s1
InChIKeyXWIAEVYEWKMAJC-USXIJHARSA-N
XLogP2.94
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide
CID 129004071
1-[[(1R,2R)-2-methylcyclopropyl]methyl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129336295
1-[(2R)-3-methylbutan-2-yl]-3-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]urea
CID 129331695
N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyridin-3-ylpropanamide
CID 129002179
(2S)-N-[[(2R,3S)-2-(4-fluorophenyl)oxolan-3-yl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 129489587
1-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]-3-(2-propan-2-yltetrazol-5-yl)urea
CID 136585949
(3S)-1-acetyl-N-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]pyrrolidine-3-carboxamide
CID 129400499
cis-(1S,2R)-2-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 129402634
5-[[(2R,3S)-2-phenyloxolan-3-yl]methylcarbamoyl]furan-3-carboxylic acid
CID 120701801
1-[(1R)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124505433
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[[(2R,3S)-2-phenyloxolan-3-yl]methyl]urea
CID 124622593
3-amino-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]pyrazine-2-carboxamide
CID 129003341

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide?
The IUPAC name of (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide (CID 129328039) is (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide?
The canonical SMILES for (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide is C[C@@H](C(=O)NC[C@H]1CCO[C@@H]1c1ccccc1)n1cccc1.
What is the InChIKey of (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide?
The InChIKey is XWIAEVYEWKMAJC-USXIJHARSA-N. The full InChI is InChI=1S/C18H22N2O2/c1-14(20-10-5-6-11-20)18(21)19-13-16-9-12-22-17(16)15-7-3-2-4-8-15/h2-8,10-11,14,16-17H,9,12-13H2,1H3,(H,19,21)/t14-,16+,17+/m0/s1.
What are the key properties of (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide?
(2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide has a molecular weight of 298.39 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(2S,3R)-2-phenyloxolan-3-yl]methyl]-2-pyrrol-1-ylpropanamide is sourced from PubChem (CID 129328039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).