N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide

C17H20N2O4 — CID 111490839

IUPACN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccc(C)o2)c1
InChIInChI=1S/C17H20N2O4/c1-11-5-4-6-13(9-11)19-16(21)15(20)18-10-17(3,22)14-8-7-12(2)23-14/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIMEXZZFUXMCCLE-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.86
Rot. Bonds4

About N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide

N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide (PubChem CID 111490839) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide
PubChem CID111490839
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide
SMILESCc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccc(C)o2)c1
InChIInChI=1S/C17H20N2O4/c1-11-5-4-6-13(9-11)19-16(21)15(20)18-10-17(3,22)14-8-7-12(2)23-14/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21)
InChIKeyIMEXZZFUXMCCLE-UHFFFAOYSA-N
XLogP1.86
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.86
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-(2-hydroxy-2-phenylpropyl)-N'-(3-methylphenyl)oxamide
CID 121112034
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(2,4,6-trimethylphenyl)oxamide
CID 111490818
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methylbut-2-enamide
CID 111912236
3-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-1-N-methylbenzene-1,3-dicarboxamide
CID 111481283
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-pyridin-4-ylurea
CID 111486871
N-(2-hydroxy-2-phenylpropyl)-N'-[3-(trifluoromethyl)phenyl]oxamide
CID 121112072
1-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-3-(3,4,5-trifluorophenyl)urea
CID 111475072
4-acetamido-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]benzamide
CID 71869864
2-(3-fluorophenyl)-N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]acetamide
CID 111481585
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]prop-2-enamide
CID 126814841
N-[2-(furan-2-yl)-2-hydroxypropyl]-N'-phenyloxamide
CID 71782588
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-2-methyl-2-phenylpropanamide
CID 71985002

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide?
The IUPAC name of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide (CID 111490839) is N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide.
What is the SMILES notation for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide?
The canonical SMILES for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide is Cc1cccc(NC(=O)C(=O)NCC(C)(O)c2ccc(C)o2)c1.
What is the InChIKey of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide?
The InChIKey is IMEXZZFUXMCCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-5-4-6-13(9-11)19-16(21)15(20)18-10-17(3,22)14-8-7-12(2)23-14/h4-9,22H,10H2,1-3H3,(H,18,20)(H,19,21).
What are the key properties of N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide?
N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide has a molecular weight of 316.36 g/mol, XLogP of 1.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(5-methylfuran-2-yl)propyl]-N'-(3-methylphenyl)oxamide is sourced from PubChem (CID 111490839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).