N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C21H23N3O3 — CID 26680013

IUPACN-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)20(26)22-16-7-9-17(10-8-16)23-21(27)15-5-11-18(12-6-15)24-13-3-4-19(24)25/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyAUESZSDGRKWWAB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.66
Rot. Bonds5

About N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26680013) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26680013
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C21H23N3O3/c1-14(2)20(26)22-16-7-9-17(10-8-16)23-21(27)15-5-11-18(12-6-15)24-13-3-4-19(24)25/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyAUESZSDGRKWWAB-UHFFFAOYSA-N
XLogP3.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-acetamido-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 78788340
methyl 4-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoyl]benzoate
CID 8747295
4-(carbamoylamino)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26127679
N-(4-methoxyphenyl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9412020
4-(2-oxopyrrolidin-1-yl)-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922377
N-(4-acetylphenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 9242933
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
N-[4-(difluoromethylsulfanyl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26908369
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138
N-(4-chlorophenyl)-4-(2-oxopiperidin-1-yl)benzamide
CID 36678322
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 55355341
N-[4-(4-ethylpiperazin-1-yl)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 42239391

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 26680013) is N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is AUESZSDGRKWWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14(2)20(26)22-16-7-9-17(10-8-16)23-21(27)15-5-11-18(12-6-15)24-13-3-4-19(24)25/h5-12,14H,3-4,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26680013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).