N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C23H27N3O4 — CID 42947127

IUPACN-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CC(=O)N(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C23H27N3O4/c1-14(2)16-6-5-7-19(10-16)26-13-17(11-22(26)28)23(29)25-20-12-18(24-15(3)27)8-9-21(20)30-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyXKLMLYLAEAZPLI-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.77
Rot. Bonds6

About N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 42947127) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID42947127
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC NameN-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCOc1ccc(NC(C)=O)cc1NC(=O)C1CC(=O)N(c2cccc(C(C)C)c2)C1
InChIInChI=1S/C23H27N3O4/c1-14(2)16-6-5-7-19(10-16)26-13-17(11-22(26)28)23(29)25-20-12-18(24-15(3)27)8-9-21(20)30-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,24,27)(H,25,29)
InChIKeyXKLMLYLAEAZPLI-UHFFFAOYSA-N
XLogP3.77
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-fluorophenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947590
(3S)-1-(3-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727131
(3S)-1-(3-acetamidophenyl)-N-(5-chloro-2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727099
N-(3-acetamido-2-methylphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 42947581
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817
N-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 43054003
(3S)-5-oxo-1-(3-propan-2-ylphenyl)-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 30785844
(3R)-1-(4-acetamidophenyl)-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40965794
(3R)-1-(3-acetamidophenyl)-N-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92726984
1-(3-acetamidophenyl)-5-oxo-N-(2-propan-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 113189061
methyl 3-[4-[(2,5-dimethoxyphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113189351
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898745

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 42947127) is N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is COc1ccc(NC(C)=O)cc1NC(=O)C1CC(=O)N(c2cccc(C(C)C)c2)C1.
What is the InChIKey of N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is XKLMLYLAEAZPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-14(2)16-6-5-7-19(10-16)26-13-17(11-22(26)28)23(29)25-20-12-18(24-15(3)27)8-9-21(20)30-4/h5-10,12,14,17H,11,13H2,1-4H3,(H,24,27)(H,25,29).
What are the key properties of N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 409.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methoxyphenyl)-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42947127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).