N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

C17H20N2O4 — CID 71787744

IUPACN'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCC(O)c2ccco2)c1C
InChIInChI=1S/C17H20N2O4/c1-11-5-3-6-13(12(11)2)19-17(22)16(21)18-9-8-14(20)15-7-4-10-23-15/h3-7,10,14,20H,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDIPWMCYQTSUZGZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.07
Rot. Bonds5

About N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (PubChem CID 71787744) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
PubChem CID71787744
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCc1cccc(NC(=O)C(=O)NCCC(O)c2ccco2)c1C
InChIInChI=1S/C17H20N2O4/c1-11-5-3-6-13(12(11)2)19-17(22)16(21)18-9-8-14(20)15-7-4-10-23-15/h3-7,10,14,20H,8-9H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyDIPWMCYQTSUZGZ-UHFFFAOYSA-N
XLogP2.07
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.07
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'-(2,3-dimethylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782301
N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523908
N'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N-[(3S)-3-(1,3-benzodioxol-5-yl)-3-hydroxypropyl]-N'-(2,3-dimethylphenyl)oxamide
CID 97414367
N'-tert-butyl-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523886
N'-(2,5-dimethoxyphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523941
N'-(2,3-dimethylphenyl)-N-[(2S)-2-hydroxypropyl]oxamide
CID 2223011
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
N'-(3-chloro-2-methylphenyl)-N-(3-hydroxy-3-phenylpropyl)oxamide
CID 71782312
N'-(2-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893787
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924

Frequently Asked Questions

What is the IUPAC name of N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (CID 71787744) is N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is Cc1cccc(NC(=O)C(=O)NCCC(O)c2ccco2)c1C.
What is the InChIKey of N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The InChIKey is DIPWMCYQTSUZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-5-3-6-13(12(11)2)19-17(22)16(21)18-9-8-14(20)15-7-4-10-23-15/h3-7,10,14,20H,8-9H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide has a molecular weight of 316.36 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 71787744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).