(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide

C18H27N3O2 — CID 97242012

IUPAC(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@@H]1C(=O)NC
InChIInChI=1S/C18H27N3O2/c1-4-15(12-14-9-7-13(2)8-10-14)20-18(23)21-11-5-6-16(21)17(22)19-3/h7-10,15-16H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyPKAKZUYIMHYQNN-JKSUJKDBSA-N
MW317.43 g/mol
LogP2.24
Rot. Bonds5

About (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide

(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide (PubChem CID 97242012) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide
PubChem CID97242012
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide
SMILESCC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@@H]1C(=O)NC
InChIInChI=1S/C18H27N3O2/c1-4-15(12-14-9-7-13(2)8-10-14)20-18(23)21-11-5-6-16(21)17(22)19-3/h7-10,15-16H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,23)/t15-,16+/m0/s1
InChIKeyPKAKZUYIMHYQNN-JKSUJKDBSA-N
XLogP2.24
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide with MolForge

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Related Compounds

(3R)-3-(2-amino-2-oxoethyl)-N-[(2S)-1-(4-methylphenyl)butan-2-yl]piperidine-1-carboxamide
CID 97025766
(2S)-1-(pentan-3-ylcarbamoyl)pyrrolidine-2-carboxylic acid
CID 61187396
1-N-[(4-chlorophenyl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 155944780
1-N-benzyl-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 47085421
N-[(2R)-1-(4-methylphenyl)butan-2-yl]acetamide
CID 96567688
(2S)-1-N-benzyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 1468781
1-[(2S)-2-amino-3-phenylpropanoyl]-N-methylpyrrolidine-2-carboxamide
CID 61164772
3-[[1-[1-[2-amino-3-(4-methylphenyl)propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-4-phenylbutanoic acid
CID 123707769
1-N-cyclohexyl-2-N-[(4-methylphenyl)methyl]pyrrolidine-1,2-dicarboxamide
CID 3219738
N-[1-hydroxy-3-(4-methylphenyl)propan-2-yl]pyrrolidine-1-carboxamide
CID 91339550
1-N-[cyclopentyl(pyridin-2-yl)methyl]-2-N-methylpyrrolidine-1,2-dicarboxamide
CID 84589898
N-butan-2-yl-2-(2,5-dimethylbenzoyl)pyrrolidine-1-carboxamide
CID 110607692

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide (CID 97242012) is (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide is CC[C@@H](Cc1ccc(C)cc1)NC(=O)N1CCC[C@@H]1C(=O)NC.
What is the InChIKey of (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide?
The InChIKey is PKAKZUYIMHYQNN-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-4-15(12-14-9-7-13(2)8-10-14)20-18(23)21-11-5-6-16(21)17(22)19-3/h7-10,15-16H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,23)/t15-,16+/m0/s1.
What are the key properties of (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-methyl-1-N-[(2S)-1-(4-methylphenyl)butan-2-yl]pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 97242012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).