N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide

C20H23FN2O3 — CID 90599726

IUPACN-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NCc1ccc(F)cc1)(OC)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c1-3-20(26-2,16-7-5-4-6-8-16)14-23-19(25)18(24)22-13-15-9-11-17(21)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQAQSVPCRGWWWDZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.51
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide

N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide (PubChem CID 90599726) has the molecular formula C20H23FN2O3 and a molecular weight of 358.41 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
PubChem CID90599726
Molecular FormulaC20H23FN2O3
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC NameN-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(=O)NCc1ccc(F)cc1)(OC)c1ccccc1
InChIInChI=1S/C20H23FN2O3/c1-3-20(26-2,16-7-5-4-6-8-16)14-23-19(25)18(24)22-13-15-9-11-17(21)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyQAQSVPCRGWWWDZ-UHFFFAOYSA-N
XLogP2.51
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.51
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

N-benzyl-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599704
N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599769
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-methoxy-2-phenylbutyl)urea
CID 90599815
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
CID 97428674
1-(2,6-difluorophenyl)-3-(2-methoxy-2-phenylbutyl)urea
CID 90599796
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-benzyl-N'-[(2S)-2-(2-fluorophenyl)-2-methoxypropyl]oxamide
CID 97428501
N-[(4-fluorophenyl)methyl]-N'-[(1R)-1-phenylethyl]oxamide
CID 2201157
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)oxamide
CID 2951597

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide (CID 90599726) is N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide is CCC(CNC(=O)C(=O)NCc1ccc(F)cc1)(OC)c1ccccc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide?
The InChIKey is QAQSVPCRGWWWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O3/c1-3-20(26-2,16-7-5-4-6-8-16)14-23-19(25)18(24)22-13-15-9-11-17(21)12-10-15/h4-12H,3,13-14H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide?
N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide has a molecular weight of 358.41 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide is sourced from PubChem (CID 90599726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).