N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

C20H21N3O3 — CID 24535918

IUPACN-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-14-4-2-5-16(12-14)22-18(24)13-21-20(26)15-7-9-17(10-8-15)23-11-3-6-19(23)25/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,26)(H,22,24)
InChIKeyLKWSEHQGUCFLDT-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.49
Rot. Bonds5

About N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide

N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 24535918) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID24535918
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC NameN-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1
InChIInChI=1S/C20H21N3O3/c1-14-4-2-5-16(12-14)22-18(24)13-21-20(26)15-7-9-17(10-8-15)23-11-3-6-19(23)25/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,26)(H,22,24)
InChIKeyLKWSEHQGUCFLDT-UHFFFAOYSA-N
XLogP2.49
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9039877
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
N-[2-[(3-methylphenyl)methylamino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38295305
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
methyl 3-[2-[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]ethynyl]benzoate
CID 30712549
N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 55957158
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9319832

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 24535918) is N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1cccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)c1.
What is the InChIKey of N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is LKWSEHQGUCFLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-14-4-2-5-16(12-14)22-18(24)13-21-20(26)15-7-9-17(10-8-15)23-11-3-6-19(23)25/h2,4-5,7-10,12H,3,6,11,13H2,1H3,(H,21,26)(H,22,24).
What are the key properties of N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 24535918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).