N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide

C15H16N2O3 — CID 2188176

IUPACN'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H16N2O3/c1-11-4-6-12(7-5-11)9-16-14(18)15(19)17-10-13-3-2-8-20-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLDWVRVIAOSGWLM-UHFFFAOYSA-N
MW272.30 g/mol
LogP1.52
Rot. Bonds4

About N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide

N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide (PubChem CID 2188176) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
PubChem CID2188176
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC NameN'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
SMILESCc1ccc(CNC(=O)C(=O)NCc2ccco2)cc1
InChIInChI=1S/C15H16N2O3/c1-11-4-6-12(7-5-11)9-16-14(18)15(19)17-10-13-3-2-8-20-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19)
InChIKeyLDWVRVIAOSGWLM-UHFFFAOYSA-N
XLogP1.52
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 51.52
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

1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
4-N-(furan-2-ylmethyl)-1-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109147749
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N,N'-bis[(4-methylphenyl)methyl]oxamide
CID 3116969
2-(2,4-dimethylphenyl)-N-(furan-2-ylmethyl)-2-oxoacetamide
CID 82120685
1-[(4-bromophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 108899432
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303420
N-ethyl-N'-[(4-methylphenyl)methyl]oxamide
CID 2291435
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-N'-(propan-2-ylideneamino)oxamide
CID 21211556
N-[(Z)-3-(furan-2-ylmethylamino)-1-(4-methylphenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide
CID 5441739
N'-[1-(4-ethylphenyl)ethyl]-N-(furan-2-ylmethyl)oxamide
CID 108510944

Frequently Asked Questions

What is the IUPAC name of N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide?
The IUPAC name of N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide (CID 2188176) is N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide.
What is the SMILES notation for N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide?
The canonical SMILES for N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide is Cc1ccc(CNC(=O)C(=O)NCc2ccco2)cc1.
What is the InChIKey of N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide?
The InChIKey is LDWVRVIAOSGWLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-11-4-6-12(7-5-11)9-16-14(18)15(19)17-10-13-3-2-8-20-13/h2-8H,9-10H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide?
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide has a molecular weight of 272.30 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide is sourced from PubChem (CID 2188176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).