2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C23H29N3O2 — CID 3468432

IUPAC2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)18-13-11-17(12-14-18)16-24-21(27)20-10-7-15-26(20)22(28)25-19-8-5-4-6-9-19/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGSFIUJPPVHZLHP-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.30
Rot. Bonds4

About 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 3468432) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID3468432
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC Name2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCC(C)(C)c1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C23H29N3O2/c1-23(2,3)18-13-11-17(12-14-18)16-24-21(27)20-10-7-15-26(20)22(28)25-19-8-5-4-6-9-19/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)(H,25,28)
InChIKeyGSFIUJPPVHZLHP-UHFFFAOYSA-N
XLogP4.30
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-(4-propan-2-ylphenyl)butanamide
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Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 3468432) is 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is CC(C)(C)c1ccc(CNC(=O)C2CCCN2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is GSFIUJPPVHZLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-23(2,3)18-13-11-17(12-14-18)16-24-21(27)20-10-7-15-26(20)22(28)25-19-8-5-4-6-9-19/h4-6,8-9,11-14,20H,7,10,15-16H2,1-3H3,(H,24,27)(H,25,28).
What are the key properties of 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-tert-butylphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 3468432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).