N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide

C19H21NO4 — CID 82156253

IUPACN-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C=O)ccc1OCC(C)C
InChIInChI=1S/C19H21NO4/c1-13(2)12-24-18-9-8-14(11-21)10-16(18)20-19(22)15-6-4-5-7-17(15)23-3/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyWSPGCJHVQBIOKC-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.79
Rot. Bonds7

About N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide

N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide (PubChem CID 82156253) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide
PubChem CID82156253
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC NameN-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cc(C=O)ccc1OCC(C)C
InChIInChI=1S/C19H21NO4/c1-13(2)12-24-18-9-8-14(11-21)10-16(18)20-19(22)15-6-4-5-7-17(15)23-3/h4-11,13H,12H2,1-3H3,(H,20,22)
InChIKeyWSPGCJHVQBIOKC-UHFFFAOYSA-N
XLogP3.79
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-(5-formyl-2-propan-2-yloxyphenyl)-2-methoxybenzamide
CID 94763058
N-(3-chloro-4-methoxyphenyl)-2-(2-methylpropoxy)benzamide
CID 4945530
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-[[2-(2-methylpropoxy)benzoyl]amino]benzamide
CID 4945319
N-(2-ethoxy-5-formylphenyl)-2-(2-methoxyphenoxy)acetamide
CID 82156183
5-bromo-2-methoxy-N-[[2-(2-methylpropoxy)phenyl]carbamothioyl]benzamide
CID 17094596
N-(3,5-dimethylphenyl)-2-(2-methylpropoxy)benzamide
CID 4945346
N-(5-formyl-2-methoxyphenyl)-2-phenylacetamide
CID 82156108
N-(2,5-dimethoxyphenyl)-2-[2-(2-methylpropoxy)anilino]acetamide
CID 54823911
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethoxy)benzamide
CID 17355355
2-(2-amino-2-oxoethoxy)-N-(2-methoxy-5-methylphenyl)benzamide
CID 9453585

Frequently Asked Questions

What is the IUPAC name of N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide?
The IUPAC name of N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide (CID 82156253) is N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide.
What is the SMILES notation for N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide?
The canonical SMILES for N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cc(C=O)ccc1OCC(C)C.
What is the InChIKey of N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide?
The InChIKey is WSPGCJHVQBIOKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-13(2)12-24-18-9-8-14(11-21)10-16(18)20-19(22)15-6-4-5-7-17(15)23-3/h4-11,13H,12H2,1-3H3,(H,20,22).
What are the key properties of N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide?
N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide has a molecular weight of 327.38 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-formyl-2-(2-methylpropoxy)phenyl]-2-methoxybenzamide is sourced from PubChem (CID 82156253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).