N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide

C18H22N2O4 — CID 90599701

IUPACN-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NCc1ccco1)(OC)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-3-18(23-2,14-8-5-4-6-9-14)13-20-17(22)16(21)19-12-15-10-7-11-24-15/h4-11H,3,12-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCDUSIQGDXGJJBW-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.96
Rot. Bonds7

About N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide

N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide (PubChem CID 90599701) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
PubChem CID90599701
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NCc1ccco1)(OC)c1ccccc1
InChIInChI=1S/C18H22N2O4/c1-3-18(23-2,14-8-5-4-6-9-14)13-20-17(22)16(21)19-12-15-10-7-11-24-15/h4-11H,3,12-13H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyCDUSIQGDXGJJBW-UHFFFAOYSA-N
XLogP1.96
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
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'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
CID 124522852
N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
CID 97428674
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
(2E)-2-benzylidene-N-(furan-2-ylmethyl)butanamide
CID 110298754
N-(furan-2-ylmethyl)-N'-(1-phenylethyl)oxamide
CID 2851681
N-(2-methoxy-2-phenylbutyl)-1-benzofuran-2-carboxamide
CID 90599483
N'-(furan-2-ylmethyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2188176
N'-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-N-(furan-2-ylmethyl)oxamide
CID 126850773
2-cyclohexyl-N-(2-methoxy-2-phenylbutyl)acetamide
CID 90599459
N-(furan-2-ylmethyl)acetamide
CID 2394850

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide (CID 90599701) is N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide is CCC(CNC(=O)C(=O)NCc1ccco1)(OC)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide?
The InChIKey is CDUSIQGDXGJJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-18(23-2,14-8-5-4-6-9-14)13-20-17(22)16(21)19-12-15-10-7-11-24-15/h4-11H,3,12-13H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide?
N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide has a molecular weight of 330.38 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide is sourced from PubChem (CID 90599701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).