2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide

C22H26N4O3 — CID 8786075

IUPAC2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H26N4O3/c1-16-5-7-17(8-6-16)23-20(27)14-25(2)15-21(28)24-18-9-11-19(12-10-18)26-13-3-4-22(26)29/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyZSMDDQYPLMITLV-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.63
Rot. Bonds7

About 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide

2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide (PubChem CID 8786075) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
PubChem CID8786075
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H26N4O3/c1-16-5-7-17(8-6-16)23-20(27)14-25(2)15-21(28)24-18-9-11-19(12-10-18)26-13-3-4-22(26)29/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyZSMDDQYPLMITLV-UHFFFAOYSA-N
XLogP2.63
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methoxy-5-methylphenyl)methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8805849
2-[[4-(dimethylamino)phenyl]methyl-methylamino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 40682745
3-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 8914392
2-[methyl(2-phenoxyethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8754909
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-[methyl(naphthalen-2-ylmethyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8615045
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46421016
2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 30306516
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
3-[benzyl(methyl)amino]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 17397146
2-N-(4-methylphenyl)-3-N-[4-(2-oxopyrrolidin-1-yl)phenyl]pyrazine-2,3-dicarboxamide
CID 11509899
ethane;1-(4-methylphenyl)pyrrolidin-2-one
CID 143607645

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide (CID 8786075) is 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CN(C)CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide?
The InChIKey is ZSMDDQYPLMITLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-5-7-17(8-6-16)23-20(27)14-25(2)15-21(28)24-18-9-11-19(12-10-18)26-13-3-4-22(26)29/h5-12H,3-4,13-15H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide?
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 8786075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).