N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide

C18H20N2O6 — CID 124670159

IUPACN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccco1
InChIInChI=1S/C18H20N2O6/c1-18(23,10-13-3-2-6-24-13)11-19-16(21)17(22)20-12-4-5-14-15(9-12)26-8-7-25-14/h2-6,9,23H,7-8,10-11H2,1H3,(H,19,21)(H,20,22)/t18-/m1/s1
InChIKeyIETPDALNSFHFJJ-GOSISDBHSA-N
MW360.37 g/mol
LogP1.10
Rot. Bonds5

About N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide

N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide (PubChem CID 124670159) has the molecular formula C18H20N2O6 and a molecular weight of 360.37 g/mol. Its IUPAC name is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
PubChem CID124670159
Molecular FormulaC18H20N2O6
Molecular Weight360.37 g/mol
Exact Mass360.13
IUPAC NameN'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
SMILESC[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccco1
InChIInChI=1S/C18H20N2O6/c1-18(23,10-13-3-2-6-24-13)11-19-16(21)17(22)20-12-4-5-14-15(9-12)26-8-7-25-14/h2-6,9,23H,7-8,10-11H2,1H3,(H,19,21)(H,20,22)/t18-/m1/s1
InChIKeyIETPDALNSFHFJJ-GOSISDBHSA-N
XLogP1.10
TPSA110.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(furan-2-ylmethyl)oxamide
CID 3154022
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 71782092
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-7-yl)oxamide
CID 90605271
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-[3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 90605267
N-butyl-N'-(2,3-dihydro-1,4-benzodioxin-6-yl)oxamide
CID 3220602
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-3-hydroxy-4,4-dimethylpentyl]oxamide
CID 95984709
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopropanamide
CID 82127722
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(3-methyl-2-oxo-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-6-yl)oxamide
CID 90605276
N-(1,3-benzodioxol-5-yl)-2-(furan-2-yl)acetamide
CID 110690742

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
The IUPAC name of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide (CID 124670159) is N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide.
What is the SMILES notation for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
The canonical SMILES for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide is C[C@](O)(CNC(=O)C(=O)Nc1ccc2c(c1)OCCO2)Cc1ccco1.
What is the InChIKey of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
The InChIKey is IETPDALNSFHFJJ-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O6/c1-18(23,10-13-3-2-6-24-13)11-19-16(21)17(22)20-12-4-5-14-15(9-12)26-8-7-25-14/h2-6,9,23H,7-8,10-11H2,1H3,(H,19,21)(H,20,22)/t18-/m1/s1.
What are the key properties of N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide has a molecular weight of 360.37 g/mol, XLogP of 1.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide is sourced from PubChem (CID 124670159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).