N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide

C14H13NO4 — CID 94272659

IUPACN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-18-11-6-4-10(5-7-11)13(16)14(17)15-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17)
InChIKeyORWQVLDMGJMKDF-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.79
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide

N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide (PubChem CID 94272659) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
PubChem CID94272659
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC NameN-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide
SMILESCOc1ccc(C(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C14H13NO4/c1-18-11-6-4-10(5-7-11)13(16)14(17)15-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17)
InChIKeyORWQVLDMGJMKDF-UHFFFAOYSA-N
XLogP1.79
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(furan-2-ylmethyl)-N-[2-(4-methoxyphenoxy)ethyl]oxamide
CID 108517692
N-(furan-2-ylmethyl)-N'-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]oxamide
CID 124878229
N-(furan-2-ylmethyl)-2-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-2-oxoacetamide
CID 9185408
(3S)-N-(furan-2-ylmethyl)-3-(4-methoxyphenyl)-4-methylpentanamide
CID 7082801
N-[(2S)-1-(furan-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]-4-methoxybenzamide
CID 110351238
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methoxyphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 7262071
N-[(Z)-1-(4-chlorophenyl)-3-(furan-2-ylmethylamino)-3-oxoprop-1-en-2-yl]-4-methoxybenzamide
CID 7454304
N'-(2,5-dimethoxyphenyl)-N-(furan-2-ylmethyl)oxamide
CID 2247281
(Z)-2-cyano-N-(furan-2-ylmethyl)-3-(4-methoxyanilino)prop-2-enamide
CID 108863285
N-(furan-2-ylmethyl)-4-(2-methoxyethoxy)benzamide
CID 15943207
[4-[(E)-2-cyano-3-(furan-2-ylmethylamino)-3-oxoprop-1-enyl]phenyl] 4-methoxybenzoate
CID 19195004
(2S)-N-(furan-2-ylmethyl)-2-[[2-(4-methoxyphenyl)acetyl]amino]propanamide
CID 110348304

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide (CID 94272659) is N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide is COc1ccc(C(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
The InChIKey is ORWQVLDMGJMKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-18-11-6-4-10(5-7-11)13(16)14(17)15-9-12-3-2-8-19-12/h2-8H,9H2,1H3,(H,15,17).
What are the key properties of N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide?
N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide has a molecular weight of 259.26 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-2-oxoacetamide is sourced from PubChem (CID 94272659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).