N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide

C17H20N2O3 — CID 108510944

IUPACN'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-13-6-8-14(9-7-13)12(2)19-17(21)16(20)18-11-15-5-4-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIOYLVLYLXLYHJG-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.34
Rot. Bonds5

About N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide

N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide (PubChem CID 108510944) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
PubChem CID108510944
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
SMILESCCc1ccc(C(C)NC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H20N2O3/c1-3-13-6-8-14(9-7-13)12(2)19-17(21)16(20)18-11-15-5-4-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyIOYLVLYLXLYHJG-UHFFFAOYSA-N
XLogP2.34
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N'-[(1R)-1-(4-fluorophenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 30405106
N-(furan-2-ylmethyl)-N'-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]oxamide
CID 30405111
N'-[1-(4-ethylphenyl)ethyl]-N-[(2-methoxyphenyl)methyl]oxamide
CID 108511080
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N'-[1-(4-ethylphenyl)ethyl]-N-[(4-sulfamoylphenyl)methyl]oxamide
CID 108510962
1-(4-ethylphenyl)-2-(furan-2-ylmethylamino)ethanol
CID 112501576
2-(4-ethylanilino)-N-(furan-2-ylmethyl)acetamide
CID 37465954
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
4-(4-ethylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 30797918
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-(furan-2-ylmethyl)thiourea
CID 7944842

Frequently Asked Questions

What is the IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide?
The IUPAC name of N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide (CID 108510944) is N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide is CCc1ccc(C(C)NC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide?
The InChIKey is IOYLVLYLXLYHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-3-13-6-8-14(9-7-13)12(2)19-17(21)16(20)18-11-15-5-4-10-22-15/h4-10,12H,3,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide?
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide has a molecular weight of 300.36 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide is sourced from PubChem (CID 108510944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).