(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

C18H27N3O2 — CID 1468668

IUPAC(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H27N3O2/c1-5-18(3,4)20-16(22)15-7-6-12-21(15)17(23)19-14-10-8-13(2)9-11-14/h8-11,15H,5-7,12H2,1-4H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyCGJRDLXGWGIASX-OAHLLOKOSA-N
MW317.43 g/mol
LogP3.30
Rot. Bonds4

About (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide

(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1468668) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1468668
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1
InChIInChI=1S/C18H27N3O2/c1-5-18(3,4)20-16(22)15-7-6-12-21(15)17(23)19-14-10-8-13(2)9-11-14/h8-11,15H,5-7,12H2,1-4H3,(H,19,23)(H,20,22)/t15-/m1/s1
InChIKeyCGJRDLXGWGIASX-OAHLLOKOSA-N
XLogP3.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-(cyclohexylmethyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3221241
(2R)-2-N-(3,4-dimethylphenyl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 51684738
(2S)-2-N,2-N-dimethyl-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051495
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468915
2-N-[4-(1-methyl-4,5-dihydroimidazol-2-yl)phenyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 142246680
(2S)-1-acetyl-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 784723
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
1-N-benzyl-2-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219635
2-N-[2-(cyclohexen-1-yl)ethyl]-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 644827
1-N-(4-chlorophenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3219672
(2R)-2-N-(3,5-dimethylphenyl)-1-N-(4-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445811
2-N-(4-acetamidophenyl)-1-N-(4-ethoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230278

Frequently Asked Questions

What is the IUPAC name of (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 1468668) is (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is CCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Nc1ccc(C)cc1.
What is the InChIKey of (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is CGJRDLXGWGIASX-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-18(3,4)20-16(22)15-7-6-12-21(15)17(23)19-14-10-8-13(2)9-11-14/h8-11,15H,5-7,12H2,1-4H3,(H,19,23)(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide?
(2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-N-(2-methylbutan-2-yl)-1-N-(4-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1468668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).