(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide

C20H24N2O — CID 67926028

IUPAC(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H]1C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-21-20(23)22-14-8-13-19(22)18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,21,23)/t18?,19-/m0/s1
InChIKeyHOCMRLONWXXRFG-GGYWPGCISA-N
MW308.43 g/mol
LogP3.82
Rot. Bonds4

About (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide

(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide (PubChem CID 67926028) has the molecular formula C20H24N2O and a molecular weight of 308.43 g/mol. Its IUPAC name is (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide
PubChem CID67926028
Molecular FormulaC20H24N2O
Molecular Weight308.43 g/mol
Exact Mass308.19
IUPAC Name(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide
SMILESCNC(=O)N1CCC[C@H]1C(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C20H24N2O/c1-21-20(23)22-14-8-13-19(22)18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,21,23)/t18?,19-/m0/s1
InChIKeyHOCMRLONWXXRFG-GGYWPGCISA-N
XLogP3.82
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide (CID 67926028) is (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide is CNC(=O)N1CCC[C@H]1C(Cc1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide?
The InChIKey is HOCMRLONWXXRFG-GGYWPGCISA-N. The full InChI is InChI=1S/C20H24N2O/c1-21-20(23)22-14-8-13-19(22)18(17-11-6-3-7-12-17)15-16-9-4-2-5-10-16/h2-7,9-12,18-19H,8,13-15H2,1H3,(H,21,23)/t18?,19-/m0/s1.
What are the key properties of (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide?
(2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide has a molecular weight of 308.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,2-diphenylethyl)-N-methylpyrrolidine-1-carboxamide is sourced from PubChem (CID 67926028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).