1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

C26H31N3O3 — CID 50838144

IUPAC1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1
InChIInChI=1S/C26H31N3O3/c1-16-10-11-23(17(2)12-16)18(3)27-26(32)20-13-24(30)29(15-20)22-9-5-8-21(14-22)28-25(31)19-6-4-7-19/h5,8-12,14,18-20H,4,6-7,13,15H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyBJSRFZWLMZPDBB-UHFFFAOYSA-N
MW433.55 g/mol
LogP4.27
Rot. Bonds6

About 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide

1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 50838144) has the molecular formula C26H31N3O3 and a molecular weight of 433.55 g/mol. Its IUPAC name is 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID50838144
Molecular FormulaC26H31N3O3
Molecular Weight433.55 g/mol
Exact Mass433.24
IUPAC Name1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)C2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1
InChIInChI=1S/C26H31N3O3/c1-16-10-11-23(17(2)12-16)18(3)27-26(32)20-13-24(30)29(15-20)22-9-5-8-21(14-22)28-25(31)19-6-4-7-19/h5,8-12,14,18-20H,4,6-7,13,15H2,1-3H3,(H,27,32)(H,28,31)
InChIKeyBJSRFZWLMZPDBB-UHFFFAOYSA-N
XLogP4.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.55
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Related Compounds

(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898745
(3S)-1-[3-(cyclobutanecarbonylamino)phenyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 92898741
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
(3R)-N-(3-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 878925
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
1-(3-methylphenyl)-5-oxo-N-(1-phenylethyl)pyrrolidine-3-carboxamide
CID 45010553
(3S)-N-(3,5-dimethylphenyl)-1-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 93017598
(3S)-1-(3-chlorophenyl)-5-oxo-N-[3-(propan-2-ylcarbamoylamino)phenyl]pyrrolidine-3-carboxamide
CID 51939029
(3S)-N-(3-methylphenyl)-1-[3-[(4-methylphenyl)carbamoyl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 95058207
N-[5-(cyclopropanecarbonylamino)-2-methylphenyl]-5-oxo-1-(3-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 55711817
1-(3-acetylphenyl)-N-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188811
N-[3-(2-methylpropanoylamino)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 2984442

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide (CID 50838144) is 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(C(C)NC(=O)C2CC(=O)N(c3cccc(NC(=O)C4CCC4)c3)C2)c(C)c1.
What is the InChIKey of 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BJSRFZWLMZPDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O3/c1-16-10-11-23(17(2)12-16)18(3)27-26(32)20-13-24(30)29(15-20)22-9-5-8-21(14-22)28-25(31)19-6-4-7-19/h5,8-12,14,18-20H,4,6-7,13,15H2,1-3H3,(H,27,32)(H,28,31).
What are the key properties of 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide?
1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 433.55 g/mol, XLogP of 4.27, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclobutanecarbonylamino)phenyl]-N-[1-(2,4-dimethylphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 50838144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).