4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

C20H23N3O4 — CID 6488147

IUPAC4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CC(O)CN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-27-17-9-7-14(8-10-17)12-21-19(25)18-11-16(24)13-23(18)20(26)22-15-5-3-2-4-6-15/h2-10,16,18,24H,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyAREQGYLVJCGJFM-UHFFFAOYSA-N
MW369.42 g/mol
LogP1.98
Rot. Bonds5

About 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide

4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (PubChem CID 6488147) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.

Molecular Properties

Compound Name4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
PubChem CID6488147
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Name4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide
SMILESCOc1ccc(CNC(=O)C2CC(O)CN2C(=O)Nc2ccccc2)cc1
InChIInChI=1S/C20H23N3O4/c1-27-17-9-7-14(8-10-17)12-21-19(25)18-11-16(24)13-23(18)20(26)22-15-5-3-2-4-6-15/h2-10,16,18,24H,11-13H2,1H3,(H,21,25)(H,22,26)
InChIKeyAREQGYLVJCGJFM-UHFFFAOYSA-N
XLogP1.98
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The IUPAC name of 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide (CID 6488147) is 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide.
What is the SMILES notation for 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The canonical SMILES for 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is COc1ccc(CNC(=O)C2CC(O)CN2C(=O)Nc2ccccc2)cc1.
What is the InChIKey of 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
The InChIKey is AREQGYLVJCGJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-27-17-9-7-14(8-10-17)12-21-19(25)18-11-16(24)13-23(18)20(26)22-15-5-3-2-4-6-15/h2-10,16,18,24H,11-13H2,1H3,(H,21,25)(H,22,26).
What are the key properties of 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide?
4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide has a molecular weight of 369.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-N-[(4-methoxyphenyl)methyl]-1-N-phenylpyrrolidine-1,2-dicarboxamide is sourced from PubChem (CID 6488147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).