N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide

C22H25N3O3 — CID 55355341

IUPACN-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)20(24-21(27)16-7-4-3-5-8-16)22(28)23-17-10-12-18(13-11-17)25-14-6-9-19(25)26/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPWCOADCNZLWVJV-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.21
Rot. Bonds6

About N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide

N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide (PubChem CID 55355341) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
PubChem CID55355341
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
SMILESCC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1
InChIInChI=1S/C22H25N3O3/c1-15(2)20(24-21(27)16-7-4-3-5-8-16)22(28)23-17-10-12-18(13-11-17)25-14-6-9-19(25)26/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3,(H,23,28)(H,24,27)
InChIKeyPWCOADCNZLWVJV-UHFFFAOYSA-N
XLogP3.21
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 9371180
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]pentan-2-yl]benzamide
CID 78788339
N-[(2S)-3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]thiophene-2-carboxamide
CID 8748790
N-[4-methylsulfanyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 18271840
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
4-(2-oxopyrrolidin-1-yl)-N-propan-2-ylbenzamide
CID 6621975
4-chloro-N-[3-methyl-1-oxo-1-[3-(2-oxopiperidin-1-yl)anilino]butan-2-yl]benzamide
CID 112819938
2-methyl-N-[3-methyl-1-oxo-1-[3-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide
CID 51213638
4-(2-oxopyrrolidin-1-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 40515622
N-[1-[2-chloro-5-(2-oxopyrrolidin-1-yl)anilino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 55676128
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
The IUPAC name of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide (CID 55355341) is N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide is CC(C)C(NC(=O)c1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
The InChIKey is PWCOADCNZLWVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-15(2)20(24-21(27)16-7-4-3-5-8-16)22(28)23-17-10-12-18(13-11-17)25-14-6-9-19(25)26/h3-5,7-8,10-13,15,20H,6,9,14H2,1-2H3,(H,23,28)(H,24,27).
What are the key properties of N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide?
N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide has a molecular weight of 379.46 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-[4-(2-oxopyrrolidin-1-yl)anilino]butan-2-yl]benzamide is sourced from PubChem (CID 55355341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).