N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide

C18H22N2O4 — CID 110893782

IUPACN'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCC(O)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-3-12-7-5-8-13(4-2)16(12)20-18(23)17(22)19-11-14(21)15-9-6-10-24-15/h5-10,14,21H,3-4,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBHMSKTCHMUZPCE-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.19
Rot. Bonds6

About N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide

N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide (PubChem CID 110893782) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide.

Molecular Properties

Compound NameN'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
PubChem CID110893782
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
SMILESCCc1cccc(CC)c1NC(=O)C(=O)NCC(O)c1ccco1
InChIInChI=1S/C18H22N2O4/c1-3-12-7-5-8-13(4-2)16(12)20-18(23)17(22)19-11-14(21)15-9-6-10-24-15/h5-10,14,21H,3-4,11H2,1-2H3,(H,19,22)(H,20,23)
InChIKeyBHMSKTCHMUZPCE-UHFFFAOYSA-N
XLogP2.19
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.19
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-ethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893787
N'-(2-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893763
N'-(2,6-diethylphenyl)-N-(3-hydroxy-2-methylpropyl)oxamide
CID 47669792
N'-(3-chloro-4-methylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide
CID 110893757
2-(2-ethylphenoxy)-N-[2-(furan-2-yl)-2-hydroxyethyl]acetamide
CID 86981092
2-(2-ethylanilino)-1-(furan-2-yl)ethanol
CID 55025106
1-(4-ethyl-1,3-thiazol-2-yl)-3-[2-(furan-2-yl)-2-hydroxyethyl]urea
CID 111475859
N-ethyl-N'-[2-(furan-2-yl)-2-hydroxyethyl]pentanediamide
CID 111102313
5-ethyl-N-[2-(furan-2-yl)-2-hydroxyethyl]furan-2-carboxamide
CID 110888986
N-[3-[[2-(furan-2-yl)-2-hydroxyethyl]carbamoylamino]phenyl]acetamide
CID 86987865
N-(cyanomethyl)-N'-(2,6-diethylphenyl)oxamide
CID 43315674
N-(2-chloroethyl)-N'-(2,6-diethylphenyl)oxamide
CID 108511372

Frequently Asked Questions

What is the IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The IUPAC name of N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide (CID 110893782) is N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide.
What is the SMILES notation for N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The canonical SMILES for N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide is CCc1cccc(CC)c1NC(=O)C(=O)NCC(O)c1ccco1.
What is the InChIKey of N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
The InChIKey is BHMSKTCHMUZPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-12-7-5-8-13(4-2)16(12)20-18(23)17(22)19-11-14(21)15-9-6-10-24-15/h5-10,14,21H,3-4,11H2,1-2H3,(H,19,22)(H,20,23).
What are the key properties of N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide?
N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide has a molecular weight of 330.38 g/mol, XLogP of 2.19, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,6-diethylphenyl)-N-[2-(furan-2-yl)-2-hydroxyethyl]oxamide is sourced from PubChem (CID 110893782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).