(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

C34H33F3N4O3 — CID 10746177

IUPAC(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C34H33F3N4O3/c1-40(22-23-10-3-2-4-11-23)32(43)29(21-24-17-18-25-12-5-6-13-26(25)20-24)38-31(42)30-16-9-19-41(30)33(44)39-28-15-8-7-14-27(28)34(35,36)37/h2-8,10-15,17-18,20,29-30H,9,16,19,21-22H2,1H3,(H,38,42)(H,39,44)/t29-,30-/m0/s1
InChIKeyZUFZYEYFSDXYRJ-KYJUHHDHSA-N
MW602.66 g/mol
LogP6.24
Rot. Bonds8

About (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide

(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 10746177) has the molecular formula C34H33F3N4O3 and a molecular weight of 602.66 g/mol. Its IUPAC name is (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
PubChem CID10746177
Molecular FormulaC34H33F3N4O3
Molecular Weight602.66 g/mol
Exact Mass602.25
IUPAC Name(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C34H33F3N4O3/c1-40(22-23-10-3-2-4-11-23)32(43)29(21-24-17-18-25-12-5-6-13-26(25)20-24)38-31(42)30-16-9-19-41(30)33(44)39-28-15-8-7-14-27(28)34(35,36)37/h2-8,10-15,17-18,20,29-30H,9,16,19,21-22H2,1H3,(H,38,42)(H,39,44)/t29-,30-/m0/s1
InChIKeyZUFZYEYFSDXYRJ-KYJUHHDHSA-N
XLogP6.24
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.66
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide (CID 10746177) is (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is ZUFZYEYFSDXYRJ-KYJUHHDHSA-N. The full InChI is InChI=1S/C34H33F3N4O3/c1-40(22-23-10-3-2-4-11-23)32(43)29(21-24-17-18-25-12-5-6-13-26(25)20-24)38-31(42)30-16-9-19-41(30)33(44)39-28-15-8-7-14-27(28)34(35,36)37/h2-8,10-15,17-18,20,29-30H,9,16,19,21-22H2,1H3,(H,38,42)(H,39,44)/t29-,30-/m0/s1.
What are the key properties of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 602.66 g/mol, XLogP of 6.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10746177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).