N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide

C17H20N2O5 — CID 90605215

IUPACN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(C)(O)Cc2ccco2)cc1
InChIInChI=1S/C17H20N2O5/c1-17(22,10-14-4-3-9-24-14)11-18-15(20)16(21)19-12-5-7-13(23-2)8-6-12/h3-9,22H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHSNWAYGILFMDQY-UHFFFAOYSA-N
MW332.36 g/mol
LogP1.34
Rot. Bonds6

About N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide

N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide (PubChem CID 90605215) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
PubChem CID90605215
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC NameN-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide
SMILESCOc1ccc(NC(=O)C(=O)NCC(C)(O)Cc2ccco2)cc1
InChIInChI=1S/C17H20N2O5/c1-17(22,10-14-4-3-9-24-14)11-18-15(20)16(21)19-12-5-7-13(23-2)8-6-12/h3-9,22H,10-11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyHSNWAYGILFMDQY-UHFFFAOYSA-N
XLogP1.34
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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'-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 124670159
N'-(4-ethylphenyl)-N-[2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 90498368
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N-prop-2-enyloxamide
CID 90605187
N'-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]oxamide
CID 90605256
1-(2,4-dimethoxyphenyl)-3-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]urea
CID 90605304
phenyl N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamate
CID 90604967
N-[(2R)-2-hydroxy-3-(4-methoxyphenyl)-2-methylpropyl]furan-2-carboxamide
CID 95982933
methyl 4-[[(2R)-3-(furan-2-yl)-2-hydroxy-2-methylpropyl]carbamoyl]benzoate
CID 99872592
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

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide?
The IUPAC name of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide (CID 90605215) is N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide.
What is the SMILES notation for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide?
The canonical SMILES for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide is COc1ccc(NC(=O)C(=O)NCC(C)(O)Cc2ccco2)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide?
The InChIKey is HSNWAYGILFMDQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c1-17(22,10-14-4-3-9-24-14)11-18-15(20)16(21)19-12-5-7-13(23-2)8-6-12/h3-9,22H,10-11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide?
N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide has a molecular weight of 332.36 g/mol, XLogP of 1.34, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-2-hydroxy-2-methylpropyl]-N'-(4-methoxyphenyl)oxamide is sourced from PubChem (CID 90605215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).