2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

C17H25N3O2 — CID 3697683

IUPAC2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H25N3O2/c1-12-7-5-8-13(11-12)18-16(22)20-10-6-9-14(20)15(21)19-17(2,3)4/h5,7-8,11,14H,6,9-10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyFXVLXFCDGMTPFT-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.91
Rot. Bonds2

About 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide

2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (PubChem CID 3697683) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
PubChem CID3697683
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
SMILESCc1cccc(NC(=O)N2CCCC2C(=O)NC(C)(C)C)c1
InChIInChI=1S/C17H25N3O2/c1-12-7-5-8-13(11-12)18-16(22)20-10-6-9-14(20)15(21)19-17(2,3)4/h5,7-8,11,14H,6,9-10H2,1-4H3,(H,18,22)(H,19,21)
InChIKeyFXVLXFCDGMTPFT-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

1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 3230204
(2R)-2-N-(3-acetamidophenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1442935
(2R)-1-N-(3-methylphenyl)-2-N-propan-2-ylpyrrolidine-1,2-dicarboxamide
CID 1442922
(2S)-2-N-tert-butyl-1-N-(2,6-dimethylphenyl)pyrrolidine-1,2-dicarboxamide
CID 1443541
2-N-tert-butyl-1-N-(2-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230177
tert-butyl 2-[(3-methylphenyl)carbamoyl]pyrrolidine-1-carboxylate
CID 2884114
2-N-(2,4-dimethoxyphenyl)-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide
CID 3230202
(2S)-2-N-tert-butyl-1-N-(4-methoxyphenyl)pyrrolidine-1,2-dicarboxamide
CID 1468915
1-(4-methylbenzoyl)-N-(3-methylphenyl)pyrrolidine-2-carboxamide
CID 46756185
2-N-tert-butyl-1-N-(4-fluoro-3-nitrophenyl)pyrrolidine-1,2-dicarboxamide
CID 3230357
(2S)-1-N,2-N-bis(3-chlorophenyl)pyrrolidine-1,2-dicarboxamide
CID 1445725
1-[(3-bromophenyl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 61191507

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide (CID 3697683) is 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is Cc1cccc(NC(=O)N2CCCC2C(=O)NC(C)(C)C)c1.
What is the InChIKey of 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
The InChIKey is FXVLXFCDGMTPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-12-7-5-8-13(11-12)18-16(22)20-10-6-9-14(20)15(21)19-17(2,3)4/h5,7-8,11,14H,6,9-10H2,1-4H3,(H,18,22)(H,19,21).
What are the key properties of 2-N-tert-butyl-1-N-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide?
2-N-tert-butyl-1-N-(3-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-(3-methylphenyl)pyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3697683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).