N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide

C18H16N2O3 — CID 126500407

IUPACN-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide
SMILESCc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C18H16N2O3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-18(22)17(21)19-11-14-6-4-10-23-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyIRODGGOKLWLTLV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.00
Rot. Bonds3

About N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide

N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide (PubChem CID 126500407) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide
PubChem CID126500407
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC NameN-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide
SMILESCc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccco1
InChIInChI=1S/C18H16N2O3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-18(22)17(21)19-11-14-6-4-10-23-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22)
InChIKeyIRODGGOKLWLTLV-UHFFFAOYSA-N
XLogP3.00
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide (CID 126500407) is N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide is Cc1ccc2ccccc2c1NC(=O)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide?
The InChIKey is IRODGGOKLWLTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-12-8-9-13-5-2-3-7-15(13)16(12)20-18(22)17(21)19-11-14-6-4-10-23-14/h2-10H,11H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide?
N-(furan-2-ylmethyl)-N'-(2-methylnaphthalen-1-yl)oxamide has a molecular weight of 308.34 g/mol, XLogP of 3.00, 3 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'-(2-methylnaphthalen-1-yl)oxamide is sourced from PubChem (CID 126500407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).