N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide

C18H22N2O4 — CID 124522852

IUPACN-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
SMILESCC[C@](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)/t18-/m1/s1
InChIKeyCDUSIQGDXGJJBW-GOSISDBHSA-N
MW330.38 g/mol
LogP1.96
Rot. Bonds7

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

N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide (PubChem CID 124522852) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
PubChem CID124522852
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
SMILESCC[C@](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)/t18-/m1/s1
InChIKeyCDUSIQGDXGJJBW-GOSISDBHSA-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'}

Analyze N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide?
The IUPAC name of N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide (CID 124522852) is N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide is CC[C@](CNC(=O)C(=O)NCc1ccco1)(OC)c1ccccc1.
What is the InChIKey of N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide?
The InChIKey is CDUSIQGDXGJJBW-GOSISDBHSA-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)/t18-/m1/s1.
What are the key properties of N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide?
N-(furan-2-ylmethyl)-N'-[(2S)-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'-[(2S)-2-methoxy-2-phenylbutyl]oxamide is sourced from PubChem (CID 124522852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).