4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide

C21H21N3O4 — CID 168560843

IUPAC4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C21H21N3O4/c25-13-12-24-19(26)14-18(21(24)28)23-17-8-6-16(7-9-17)20(27)22-11-10-15-4-2-1-3-5-15/h1-9,14,23,25H,10-13H2,(H,22,27)
InChIKeyUVWCUQKYRAMBLQ-UHFFFAOYSA-N
MW379.42 g/mol
LogP1.32
Rot. Bonds8

About 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide

4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide (PubChem CID 168560843) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide
PubChem CID168560843
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide
SMILESO=C(NCCc1ccccc1)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1
InChIInChI=1S/C21H21N3O4/c25-13-12-24-19(26)14-18(21(24)28)23-17-8-6-16(7-9-17)20(27)22-11-10-15-4-2-1-3-5-15/h1-9,14,23,25H,10-13H2,(H,22,27)
InChIKeyUVWCUQKYRAMBLQ-UHFFFAOYSA-N
XLogP1.32
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)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-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]ethyl]acetamide
CID 168557400
1-(2-hydroxyethyl)-3-[4-(3-phenylpropoxy)anilino]pyrrole-2,5-dione
CID 168560103
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenoxyphenyl)benzamide
CID 168560288
4-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenoxy]benzoic acid
CID 168557232
1-N,4-N-bis(2-phenylethyl)benzene-1,4-dicarboxamide
CID 984633
2-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]sulfanylacetic acid
CID 168558825
1-(2-hydroxyethyl)-3-[4-(4-methylphenyl)anilino]pyrrole-2,5-dione
CID 168559346
methyl 3-[4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]phenyl]-2-phenylprop-2-enoate
CID 168560110
1-(2-hydroxyethyl)-3-[4-(2-phenyl-1,3-thiazol-4-yl)anilino]pyrrole-2,5-dione
CID 168557966
N-(4-ethylphenyl)-2-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzamide
CID 168559539
1-(2-hydroxyethyl)-3-(4-propan-2-yloxyanilino)pyrrole-2,5-dione
CID 168560112
[1-(4-methylphenyl)-1-oxopropan-2-yl] 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]benzoate
CID 168558608

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide?
The IUPAC name of 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide (CID 168560843) is 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide.
What is the SMILES notation for 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide?
The canonical SMILES for 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide is O=C(NCCc1ccccc1)c1ccc(NC2=CC(=O)N(CCO)C2=O)cc1.
What is the InChIKey of 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide?
The InChIKey is UVWCUQKYRAMBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c25-13-12-24-19(26)14-18(21(24)28)23-17-8-6-16(7-9-17)20(27)22-11-10-15-4-2-1-3-5-15/h1-9,14,23,25H,10-13H2,(H,22,27).
What are the key properties of 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide?
4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide has a molecular weight of 379.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(2-hydroxyethyl)-2,5-dioxopyrrol-3-yl]amino]-N-(2-phenylethyl)benzamide is sourced from PubChem (CID 168560843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).