[(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

C20H24N2O2 — CID 121425447

IUPAC[(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-22-14-8-11-17(22)15-24-20(23)21-19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyGAYYRCDFNJQPLD-KRWDZBQOSA-N
MW324.42 g/mol
LogP4.39
Rot. Bonds5

About [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate

[(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (PubChem CID 121425447) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.

Molecular Properties

Compound Name[(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
PubChem CID121425447
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name[(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate
SMILESCCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
InChIInChI=1S/C20H24N2O2/c1-2-22-14-8-11-17(22)15-24-20(23)21-19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)/t17-/m0/s1
InChIKeyGAYYRCDFNJQPLD-KRWDZBQOSA-N
XLogP4.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The IUPAC name of [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate (CID 121425447) is [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate.
What is the SMILES notation for [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The canonical SMILES for [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is CCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1.
What is the InChIKey of [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
The InChIKey is GAYYRCDFNJQPLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-2-22-14-8-11-17(22)15-24-20(23)21-19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)/t17-/m0/s1.
What are the key properties of [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate?
[(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate has a molecular weight of 324.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-ethylpyrrolidin-2-yl]methyl N-(2-phenylphenyl)carbamate is sourced from PubChem (CID 121425447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).