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

C34H33N5O3 — CID 10650495

IUPAC(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C34H33N5O3/c1-38(23-24-10-3-2-4-11-24)33(41)30(21-25-17-18-26-12-5-6-13-27(26)20-25)36-32(40)31-16-9-19-39(31)34(42)37-29-15-8-7-14-28(29)22-35/h2-8,10-15,17-18,20,30-31H,9,16,19,21,23H2,1H3,(H,36,40)(H,37,42)/t30-,31-/m0/s1
InChIKeyVOZZRRBZOWESIH-CONSDPRKSA-N
MW559.67 g/mol
LogP5.09
Rot. Bonds8

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

(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 10650495) has the molecular formula C34H33N5O3 and a molecular weight of 559.67 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-cyanophenyl)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-cyanophenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID10650495
Molecular FormulaC34H33N5O3
Molecular Weight559.67 g/mol
Exact Mass559.26
IUPAC Name(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)pyrrolidine-1,2-dicarboxamide
SMILESCN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C#N
InChIInChI=1S/C34H33N5O3/c1-38(23-24-10-3-2-4-11-24)33(41)30(21-25-17-18-26-12-5-6-13-27(26)20-25)36-32(40)31-16-9-19-39(31)34(42)37-29-15-8-7-14-28(29)22-35/h2-8,10-15,17-18,20,30-31H,9,16,19,21,23H2,1H3,(H,36,40)(H,37,42)/t30-,31-/m0/s1
InChIKeyVOZZRRBZOWESIH-CONSDPRKSA-N
XLogP5.09
TPSA105.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.67
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)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-cyanophenyl)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-cyanophenyl)pyrrolidine-1,2-dicarboxamide (CID 10650495) is (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)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-cyanophenyl)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-cyanophenyl)pyrrolidine-1,2-dicarboxamide is CN(Cc1ccccc1)C(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1C#N.
What is the InChIKey of (2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is VOZZRRBZOWESIH-CONSDPRKSA-N. The full InChI is InChI=1S/C34H33N5O3/c1-38(23-24-10-3-2-4-11-24)33(41)30(21-25-17-18-26-12-5-6-13-27(26)20-25)36-32(40)31-16-9-19-39(31)34(42)37-29-15-8-7-14-28(29)22-35/h2-8,10-15,17-18,20,30-31H,9,16,19,21,23H2,1H3,(H,36,40)(H,37,42)/t30-,31-/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-cyanophenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-[(2S)-1-[benzyl(methyl)amino]-3-naphthalen-2-yl-1-oxopropan-2-yl]-1-N-(2-cyanophenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 559.67 g/mol, XLogP of 5.09, 8 rotatable bonds, 2 hydrogen bond donors, and 4 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-cyanophenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 10650495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).