(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide

C18H27N3O2 — CID 1443541

IUPAC(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-12-8-6-9-13(2)15(12)19-17(23)21-11-7-10-14(21)16(22)20-18(3,4)5/h6,8-9,14H,7,10-11H2,1-5H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyRLLBJDFHLPHUMW-AWEZNQCLSA-N
MW317.43 g/mol
LogP3.21
Rot. Bonds2

About (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide

(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 1443541) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID1443541
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(C)c1NC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C
InChIInChI=1S/C18H27N3O2/c1-12-8-6-9-13(2)15(12)19-17(23)21-11-7-10-14(21)16(22)20-18(3,4)5/h6,8-9,14H,7,10-11H2,1-5H3,(H,19,23)(H,20,22)/t14-/m0/s1
InChIKeyRLLBJDFHLPHUMW-AWEZNQCLSA-N
XLogP3.21
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
tert-butyl (2S)-2-[(2,6-dimethylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 797692
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(3-fluorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1443151
2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219774
(2R)-2-N-(2,6-dimethylphenyl)-1-N-(2-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468862
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468915
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
2-N-tert-butyl-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230357
N-(2-methyl-6-propan-2-ylphenyl)-1-(2,2,2-trifluoroacetyl)pyrrolidine-2-carboxamide
CID 110343928
1-N-tert-butyl-2-N-(2,6-dimethylphenyl)cyclopropane-1,2-dicarboxamide
CID 109139597

Frequently Asked Questions

What is the IUPAC name of (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide (CID 1443541) is (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(C)c1NC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C.
What is the InChIKey of (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is RLLBJDFHLPHUMW-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-12-8-6-9-13(2)15(12)19-17(23)21-11-7-10-14(21)16(22)20-18(3,4)5/h6,8-9,14H,7,10-11H2,1-5H3,(H,19,23)(H,20,22)/t14-/m0/s1.
What are the key properties of (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide?
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 317.43 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 1443541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).