N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

C23H27N3O4 — CID 24979928

IUPACN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-16-4-6-17(7-5-16)13-26-14-18(12-22(26)28)23(29)25(2)15-21(27)24-19-8-10-20(30-3)11-9-19/h4-11,18H,12-15H2,1-3H3,(H,24,27)
InChIKeyVRKBGUTUDSJUEK-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.45
Rot. Bonds7

About N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide

N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 24979928) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID24979928
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)cc1
InChIInChI=1S/C23H27N3O4/c1-16-4-6-17(7-5-16)13-26-14-18(12-22(26)28)23(29)25(2)15-21(27)24-19-8-10-20(30-3)11-9-19/h4-11,18H,12-15H2,1-3H3,(H,24,27)
InChIKeyVRKBGUTUDSJUEK-UHFFFAOYSA-N
XLogP2.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 24979928) is N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)C2CC(=O)N(Cc3ccc(C)cc3)C2)cc1.
What is the InChIKey of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VRKBGUTUDSJUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-16-4-6-17(7-5-16)13-26-14-18(12-22(26)28)23(29)25(2)15-21(27)24-19-8-10-20(30-3)11-9-19/h4-11,18H,12-15H2,1-3H3,(H,24,27).
What are the key properties of N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 24979928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).