2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide

C17H25N3O2 — CID 3230177

IUPAC2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCCC1C(=O)NC(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-12-8-5-6-9-13(12)18-16(22)20-11-7-10-14(20)15(21)19-17(2,3)4/h5-6,8-9,14H,7,10-11H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyIIFWTQASHKLOGA-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.91
Rot. Bonds2

About 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3230177) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3230177
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1ccccc1NC(=O)N1CCCC1C(=O)NC(C)(C)C
InChIInChI=1S/C17H25N3O2/c1-12-8-5-6-9-13(12)18-16(22)20-11-7-10-14(20)15(21)19-17(2,3)4/h5-6,8-9,14H,7,10-11H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyIIFWTQASHKLOGA-UHFFFAOYSA-N
XLogP2.91
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541
2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015935
(2R)-2-N-cyclopropyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 95051482
2-N,2-N-dimethyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 53015936
(2R)-2-N-benzyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1441944
1-(2-methylbenzoyl)-N-(2-methylphenyl)pyrrolidine-2-carboxamide
CID 46744827
2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3697683
1-N-(3-acetylphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 651368
2-methyl-N-(2-methylphenyl)piperidine-1-carboxamide
CID 6460442
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
1-N-(3-methoxyphenyl)-2-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3219782

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3230177) is 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1ccccc1NC(=O)N1CCCC1C(=O)NC(C)(C)C.
What is the InChIKey of 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is IIFWTQASHKLOGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-8-5-6-9-13(12)18-16(22)20-11-7-10-14(20)15(21)19-17(2,3)4/h5-6,8-9,14H,7,10-11H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3230177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).