2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

C16H23N3O2 — CID 3219760

IUPAC2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)18-14(20)13-10-7-11-19(13)15(21)17-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyPETCLOJIAYEZKN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.60
Rot. Bonds2

About 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3219760) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3219760
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C16H23N3O2/c1-16(2,3)18-14(20)13-10-7-11-19(13)15(21)17-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,21)(H,18,20)
InChIKeyPETCLOJIAYEZKN-UHFFFAOYSA-N
XLogP2.60
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3219760) is 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide is CC(C)(C)NC(=O)C1CCCN1C(=O)Nc1ccccc1.
What is the InChIKey of 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is PETCLOJIAYEZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,3)18-14(20)13-10-7-11-19(13)15(21)17-12-8-5-4-6-9-12/h4-6,8-9,13H,7,10-11H2,1-3H3,(H,17,21)(H,18,20).
What are the key properties of 2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-tert-butyl-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.60, 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-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3219760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).