N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide

C21H21N3O4 — CID 168558499

IUPACN-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2NC2=CC(=O)N(CCO)C2=O)c1
InChIInChI=1S/C21H21N3O4/c1-13-9-14(2)11-15(10-13)22-20(27)16-5-3-4-6-17(16)23-18-12-19(26)24(7-8-25)21(18)28/h3-6,9-12,23,25H,7-8H2,1-2H3,(H,22,27)
InChIKeyVKPAPKBAVBVWPO-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.21
Rot. Bonds6

About N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide

N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide (PubChem CID 168558499) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
PubChem CID168558499
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC NameN-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
SMILESCc1cc(C)cc(NC(=O)c2ccccc2NC2=CC(=O)N(CCO)C2=O)c1
InChIInChI=1S/C21H21N3O4/c1-13-9-14(2)11-15(10-13)22-20(27)16-5-3-4-6-17(16)23-18-12-19(26)24(7-8-25)21(18)28/h3-6,9-12,23,25H,7-8H2,1-2H3,(H,22,27)
InChIKeyVKPAPKBAVBVWPO-UHFFFAOYSA-N
XLogP2.21
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]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-(4-ethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168559539
N-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-2-methylbenzamide
CID 168558655
N-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-4-methylbenzamide
CID 168560087
N-[3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-4-methylphenyl]acetamide
CID 168556139
ethyl 3-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylbenzoate
CID 168559856
1-(2-hydroxyethyl)-3-[2-(4-methylpiperidine-1-carbonyl)anilino]pyrrole-2,5-dione
CID 168560760
2-acetamido-N-(3,5-dimethylphenyl)benzamide
CID 3348341
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
1-(2-hydroxyethyl)-3-[(4-methylnaphthalen-1-yl)amino]pyrrole-2,5-dione
CID 168557289
N-[5-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylphenyl]-4-methylbenzamide
CID 168558229
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-2-methylisoindole-1,3-dione
CID 168559358
1-(2-hydroxyethyl)-3-(2-propylsulfonylanilino)pyrrole-2,5-dione
CID 168560234

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide?
The IUPAC name of N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide (CID 168558499) is N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide is Cc1cc(C)cc(NC(=O)c2ccccc2NC2=CC(=O)N(CCO)C2=O)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide?
The InChIKey is VKPAPKBAVBVWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-13-9-14(2)11-15(10-13)22-20(27)16-5-3-4-6-17(16)23-18-12-19(26)24(7-8-25)21(18)28/h3-6,9-12,23,25H,7-8H2,1-2H3,(H,22,27).
What are the key properties of N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide?
N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.21, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide is sourced from PubChem (CID 168558499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).