(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

C22H25N3O3 — CID 1443493

IUPAC(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C22H25N3O3/c1-15-8-10-17(11-9-15)14-23-21(27)20-7-4-12-25(20)22(28)24-19-6-3-5-18(13-19)16(2)26/h3,5-6,8-11,13,20H,4,7,12,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1
InChIKeyGSBFPFKGDBFRBL-FQEVSTJZSA-N
MW379.46 g/mol
LogP3.51
Rot. Bonds5

About (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide

(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (PubChem CID 1443493) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
PubChem CID1443493
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)cc2)c1
InChIInChI=1S/C22H25N3O3/c1-15-8-10-17(11-9-15)14-23-21(27)20-7-4-12-25(20)22(28)24-19-6-3-5-18(13-19)16(2)26/h3,5-6,8-11,13,20H,4,7,12,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1
InChIKeyGSBFPFKGDBFRBL-FQEVSTJZSA-N
XLogP3.51
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-N-(3-acetylphenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1443384
(2S)-1-N-(3-acetylphenyl)-2-N-(2,4-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443428
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
(2S)-1-N-(3-acetylphenyl)-2-N-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-1,2-dicarboxamide
CID 1443364
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
2-N-(1,3-benzodioxol-5-ylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 24792243
2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
CID 43814318
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
(2R)-1-N-(4-fluorophenyl)-2-N-[(4-fluorophenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468552
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
N-(3-acetylphenyl)-2-ethylpyrrolidine-1-carboxamide
CID 61345256

Frequently Asked Questions

What is the IUPAC name of (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide (CID 1443493) is (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is CC(=O)c1cccc(NC(=O)N2CCC[C@H]2C(=O)NCc2ccc(C)cc2)c1.
What is the InChIKey of (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is GSBFPFKGDBFRBL-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15-8-10-17(11-9-15)14-23-21(27)20-7-4-12-25(20)22(28)24-19-6-3-5-18(13-19)16(2)26/h3,5-6,8-11,13,20H,4,7,12,14H2,1-2H3,(H,23,27)(H,24,28)/t20-/m0/s1.
What are the key properties of (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide?
(2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 379.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-N-(3-acetylphenyl)-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).