N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide

C20H21N3O6 — CID 121132642

IUPACN'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCCC(O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H21N3O6/c1-12(24)22-14-3-5-15(6-4-14)23-20(27)19(26)21-9-8-16(25)13-2-7-17-18(10-13)29-11-28-17/h2-7,10,16,25H,8-9,11H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyZGXDBNODARGERP-UHFFFAOYSA-N
MW399.40 g/mol
LogP1.55
Rot. Bonds6

About N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide

N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide (PubChem CID 121132642) has the molecular formula C20H21N3O6 and a molecular weight of 399.40 g/mol. Its IUPAC name is N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide
PubChem CID121132642
Molecular FormulaC20H21N3O6
Molecular Weight399.40 g/mol
Exact Mass399.14
IUPAC NameN'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide
SMILESCC(=O)Nc1ccc(NC(=O)C(=O)NCCC(O)c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C20H21N3O6/c1-12(24)22-14-3-5-15(6-4-14)23-20(27)19(26)21-9-8-16(25)13-2-7-17-18(10-13)29-11-28-17/h2-7,10,16,25H,8-9,11H2,1H3,(H,21,26)(H,22,24)(H,23,27)
InChIKeyZGXDBNODARGERP-UHFFFAOYSA-N
XLogP1.55
TPSA125.99 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.40
LogP ≤ 51.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide 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'-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N-propyloxamide
CID 121132594
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(3-chloro-4-methoxyphenyl)oxamide
CID 71804376
N-[(3S)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,3-dimethylphenyl)oxamide
CID 97414367
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2-methylsulfanylphenyl)oxamide
CID 71804371
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-(4-tert-butylphenyl)urea
CID 121132692
1-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-3-(4-fluorophenyl)urea
CID 121132677
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,5-dimethoxyphenyl)oxamide
CID 121132648
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-cyclopentyloxamide
CID 71804364
N'-(1,3-benzodioxol-5-yl)-N-(3-hydroxy-4,4-dimethylpentyl)oxamide
CID 90523588
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-[(4-chlorophenyl)methyl]oxamide
CID 121132637
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924
N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-2-methoxyacetamide
CID 121132365

Frequently Asked Questions

What is the IUPAC name of N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide (CID 121132642) is N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide is CC(=O)Nc1ccc(NC(=O)C(=O)NCCC(O)c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide?
The InChIKey is ZGXDBNODARGERP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6/c1-12(24)22-14-3-5-15(6-4-14)23-20(27)19(26)21-9-8-16(25)13-2-7-17-18(10-13)29-11-28-17/h2-7,10,16,25H,8-9,11H2,1H3,(H,21,26)(H,22,24)(H,23,27).
What are the key properties of N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide?
N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide has a molecular weight of 399.40 g/mol, XLogP of 1.55, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-acetamidophenyl)-N-[3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 121132642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).