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

C13H18N2O3 — CID 90599769

IUPACN'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(N)=O)(OC)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-13(18-2,9-15-12(17)11(14)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyANWNQQLUICTSPG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.54
Rot. Bonds5

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

N'-(2-methoxy-2-phenylbutyl)oxamide (PubChem CID 90599769) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-(2-methoxy-2-phenylbutyl)oxamide.

Molecular Properties

Compound NameN'-(2-methoxy-2-phenylbutyl)oxamide
PubChem CID90599769
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-(2-methoxy-2-phenylbutyl)oxamide
SMILESCCC(CNC(=O)C(N)=O)(OC)c1ccccc1
InChIInChI=1S/C13H18N2O3/c1-3-13(18-2,9-15-12(17)11(14)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,14,16)(H,15,17)
InChIKeyANWNQQLUICTSPG-UHFFFAOYSA-N
XLogP0.54
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.54
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-[(4-fluorophenyl)methyl]-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599726
N-(2-methoxy-2-phenylbutyl)cyclopropanecarboxamide
CID 71810719
2-ethoxy-N-[(2S)-2-methoxy-2-phenylbutyl]acetamide
CID 97428557
N-[(2R)-2-methoxy-2-phenylbutyl]-N'-(3-methylphenyl)oxamide
CID 97428674
N-(furan-2-ylmethyl)-N'-[(2S)-2-methoxy-2-phenylbutyl]oxamide
CID 124522852
N-(furan-2-ylmethyl)-N'-(2-methoxy-2-phenylbutyl)oxamide
CID 90599701
2,6-difluoro-N-(2-methoxy-2-phenylbutyl)benzamide
CID 71810728
N-[(2S)-2-methoxy-2-phenylbutyl]naphthalene-1-carboxamide
CID 97428577
N-(2-methoxy-2-phenylbutyl)-4-phenoxybenzamide
CID 90599562
1-(2-methoxy-2-phenylbutyl)-3-(2-methylphenyl)urea
CID 71810787
N-(2-methoxy-2-phenylbutyl)-2-phenoxypropanamide
CID 90599490

Frequently Asked Questions

What is the IUPAC name of N'-(2-methoxy-2-phenylbutyl)oxamide?
The IUPAC name of N'-(2-methoxy-2-phenylbutyl)oxamide (CID 90599769) is N'-(2-methoxy-2-phenylbutyl)oxamide.
What is the SMILES notation for N'-(2-methoxy-2-phenylbutyl)oxamide?
The canonical SMILES for N'-(2-methoxy-2-phenylbutyl)oxamide is CCC(CNC(=O)C(N)=O)(OC)c1ccccc1.
What is the InChIKey of N'-(2-methoxy-2-phenylbutyl)oxamide?
The InChIKey is ANWNQQLUICTSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-3-13(18-2,9-15-12(17)11(14)16)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3,(H2,14,16)(H,15,17).
What are the key properties of N'-(2-methoxy-2-phenylbutyl)oxamide?
N'-(2-methoxy-2-phenylbutyl)oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methoxy-2-phenylbutyl)oxamide is sourced from PubChem (CID 90599769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).