N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide

C10H14N2O4 — CID 90605256

IUPACN'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
SMILESCC(O)(CNC(=O)C(N)=O)Cc1ccco1
InChIInChI=1S/C10H14N2O4/c1-10(15,5-7-3-2-4-16-7)6-12-9(14)8(11)13/h2-4,15H,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZMJTWCCUIIWKOB-UHFFFAOYSA-N
MW226.23 g/mol
LogP-0.83
Rot. Bonds4

About N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide

N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide (PubChem CID 90605256) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide.

Molecular Properties

Compound NameN'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
PubChem CID90605256
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC NameN'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
SMILESCC(O)(CNC(=O)C(N)=O)Cc1ccco1
InChIInChI=1S/C10H14N2O4/c1-10(15,5-7-3-2-4-16-7)6-12-9(14)8(11)13/h2-4,15H,5-6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyZMJTWCCUIIWKOB-UHFFFAOYSA-N
XLogP-0.83
TPSA105.56 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2,2-diphenylacetamide
CID 90605067
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-1-benzofuran-2-carboxamide
CID 99872573
N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-2-phenoxyacetamide
CID 99872555
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997
N'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 124670159
N'-(3-chloro-4-fluorophenyl)-N-[(2S)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 99872764

Frequently Asked Questions

What is the IUPAC name of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
The IUPAC name of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide (CID 90605256) is N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide.
What is the SMILES notation for N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
The canonical SMILES for N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide is CC(O)(CNC(=O)C(N)=O)Cc1ccco1.
What is the InChIKey of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
The InChIKey is ZMJTWCCUIIWKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-10(15,5-7-3-2-4-16-7)6-12-9(14)8(11)13/h2-4,15H,5-6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide?
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide has a molecular weight of 226.23 g/mol, XLogP of -0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide is sourced from PubChem (CID 90605256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).