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

C21H23N3O3 — CID 9039877

IUPACN-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C21H23N3O3/c1-14-5-8-17(12-15(14)2)23-19(25)13-22-21(27)16-6-9-18(10-7-16)24-11-3-4-20(24)26/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyJZUKKYRVCWBHPE-UHFFFAOYSA-N
MW365.43 g/mol
LogP2.80
Rot. Bonds5

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

N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 9039877) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID9039877
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC NameN-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
SMILESCc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1C
InChIInChI=1S/C21H23N3O3/c1-14-5-8-17(12-15(14)2)23-19(25)13-22-21(27)16-6-9-18(10-7-16)24-11-3-4-20(24)26/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,27)(H,23,25)
InChIKeyJZUKKYRVCWBHPE-UHFFFAOYSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9210686
N-[2-(3-methylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 24535918
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[2-(3,5-dimethoxyanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 51218960
N-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9319832
N-[2-oxo-2-[[2-oxo-2-(2,4,6-trimethylanilino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 27783131
N,N-diethyl-3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzamide
CID 26313419
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 46584847
methyl 3-[2-[3-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]phenyl]ethynyl]benzoate
CID 30712549
N-[2-oxo-2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 9163432
N-[2-oxo-2-(3-propoxyanilino)ethyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 38824667
butyl 4-[[2-[[4-(2-oxopyrrolidin-1-yl)benzoyl]amino]acetyl]amino]benzoate
CID 35144060

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide (CID 9039877) is N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is Cc1ccc(NC(=O)CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1C.
What is the InChIKey of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is JZUKKYRVCWBHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-14-5-8-17(12-15(14)2)23-19(25)13-22-21(27)16-6-9-18(10-7-16)24-11-3-4-20(24)26/h5-10,12H,3-4,11,13H2,1-2H3,(H,22,27)(H,23,25).
What are the key properties of N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 365.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethylanilino)-2-oxoethyl]-4-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 9039877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).