N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide

C13H18N2O3 — CID 115191802

IUPACN'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(N)=O)cc1C(C)C
InChIInChI=1S/C13H18N2O3/c1-8(2)10-6-9(4-5-11(10)18-3)7-15-13(17)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyVWLSISMLRDFXLM-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.92
Rot. Bonds4

About N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide

N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide (PubChem CID 115191802) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
PubChem CID115191802
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide
SMILESCOc1ccc(CNC(=O)C(N)=O)cc1C(C)C
InChIInChI=1S/C13H18N2O3/c1-8(2)10-6-9(4-5-11(10)18-3)7-15-13(17)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17)
InChIKeyVWLSISMLRDFXLM-UHFFFAOYSA-N
XLogP0.92
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.92
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'-[(3-ethyl-4-methoxyphenyl)methyl]oxamide
CID 115191824
2-hydroxy-N-[(4-methoxy-3-propan-2-ylphenyl)methyl]-2-methylpropanamide
CID 115178740
methyl 2-[(4-methoxy-3-propan-2-ylphenyl)methylamino]acetate
CID 115232859
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-propan-2-ylphenyl)urea
CID 3613341
N'-[(4-methoxyphenyl)methyl]oxamide
CID 2243752
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]oxamide
CID 108984830
N'-[(3-methoxyphenyl)methyl]oxamide
CID 69052749
(4-methoxy-3-propan-2-ylphenyl)methyl 2-aminopropanoate
CID 112510480
N-(2-methoxyethyl)-2-(4-methoxy-3-propan-2-ylphenyl)acetamide
CID 110767573
3-amino-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 60836849
N-[(3,4-dimethoxyphenyl)methyl]-2,4-di(propan-2-yl)benzamide
CID 9404018
N'-[(3,4-dimethoxyphenyl)methyl]-N-propyloxamide
CID 108983891

Frequently Asked Questions

What is the IUPAC name of N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide?
The IUPAC name of N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide (CID 115191802) is N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide.
What is the SMILES notation for N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide?
The canonical SMILES for N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide is COc1ccc(CNC(=O)C(N)=O)cc1C(C)C.
What is the InChIKey of N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide?
The InChIKey is VWLSISMLRDFXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8(2)10-6-9(4-5-11(10)18-3)7-15-13(17)12(14)16/h4-6,8H,7H2,1-3H3,(H2,14,16)(H,15,17).
What are the key properties of N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide?
N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide has a molecular weight of 250.30 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(4-methoxy-3-propan-2-ylphenyl)methyl]oxamide is sourced from PubChem (CID 115191802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).