N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

C17H20N2O4 — CID 90523908

IUPACN'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccco2)cc1C
InChIInChI=1S/C17H20N2O4/c1-11-5-6-13(10-12(11)2)19-17(22)16(21)18-8-7-14(20)15-4-3-9-23-15/h3-6,9-10,14,20H,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCQNDIBUUWPAKBG-UHFFFAOYSA-N
MW316.36 g/mol
LogP2.07
Rot. Bonds5

About N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide

N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (PubChem CID 90523908) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.

Molecular Properties

Compound NameN'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
PubChem CID90523908
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
SMILESCc1ccc(NC(=O)C(=O)NCCC(O)c2ccco2)cc1C
InChIInChI=1S/C17H20N2O4/c1-11-5-6-13(10-12(11)2)19-17(22)16(21)18-8-7-14(20)15-4-3-9-23-15/h3-6,9-10,14,20H,7-8H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyCQNDIBUUWPAKBG-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'-(3-chloro-4-methylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787751
N'-(1,3-benzodioxol-5-yl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 90523924
N'-(2,3-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide
CID 71787744
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
N-[3-(furan-2-yl)-3-hydroxypropyl]-N'-(4-nitrophenyl)oxamide
CID 90523930
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'-(3,4-dimethylphenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]oxamide
CID 122265841
N,N'-bis(3,4-dimethylphenyl)oxamide
CID 3278038
2-ethyl-N-[3-(furan-2-yl)-3-hydroxypropyl]butanamide
CID 90523672
N'-(3,4-dimethylphenyl)-N-(2-methylpropyl)oxamide
CID 3832963
1-(3-chloro-4-methylphenyl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 86980282

Frequently Asked Questions

What is the IUPAC name of N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The IUPAC name of N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide (CID 90523908) is N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide.
What is the SMILES notation for N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The canonical SMILES for N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is Cc1ccc(NC(=O)C(=O)NCCC(O)c2ccco2)cc1C.
What is the InChIKey of N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
The InChIKey is CQNDIBUUWPAKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11-5-6-13(10-12(11)2)19-17(22)16(21)18-8-7-14(20)15-4-3-9-23-15/h3-6,9-10,14,20H,7-8H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of N'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide?
N'-(3,4-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'-(3,4-dimethylphenyl)-N-[3-(furan-2-yl)-3-hydroxypropyl]oxamide is sourced from PubChem (CID 90523908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).