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

C13H18N2O4 — CID 90605187

IUPACN'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(C)(O)Cc1ccco1
InChIInChI=1S/C13H18N2O4/c1-3-6-14-11(16)12(17)15-9-13(2,18)8-10-5-4-7-19-10/h3-5,7,18H,1,6,8-9H2,2H3,(H,14,16)(H,15,17)
InChIKeyVNQURTXFWIAGPM-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.01
Rot. Bonds6

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

N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide (PubChem CID 90605187) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide.

Molecular Properties

Compound NameN'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
PubChem CID90605187
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC NameN'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
SMILESC=CCNC(=O)C(=O)NCC(C)(O)Cc1ccco1
InChIInChI=1S/C13H18N2O4/c1-3-6-14-11(16)12(17)15-9-13(2,18)8-10-5-4-7-19-10/h3-5,7,18H,1,6,8-9H2,2H3,(H,14,16)(H,15,17)
InChIKeyVNQURTXFWIAGPM-UHFFFAOYSA-N
XLogP-0.01
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
N'-(4-fluorophenyl)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605203
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
CID 90605215
N-[2-(cyclohexen-1-yl)ethyl]-N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605218
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-3,5-dimethylbenzamide
CID 90604979
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
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
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]-2-phenoxyacetamide
CID 99872555
4-(dimethylamino)-N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]benzamide
CID 90604997

Frequently Asked Questions

What is the IUPAC name of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide?
The IUPAC name of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide (CID 90605187) is N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide.
What is the SMILES notation for N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide?
The canonical SMILES for N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide is C=CCNC(=O)C(=O)NCC(C)(O)Cc1ccco1.
What is the InChIKey of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide?
The InChIKey is VNQURTXFWIAGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-6-14-11(16)12(17)15-9-13(2,18)8-10-5-4-7-19-10/h3-5,7,18H,1,6,8-9H2,2H3,(H,14,16)(H,15,17).
What are the key properties of N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide?
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide has a molecular weight of 266.30 g/mol, XLogP of -0.01, 6 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]-N-prop-2-enyloxamide is sourced from PubChem (CID 90605187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).