N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide

C18H18N2O4 — CID 24520868

IUPACN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2ccccc2C=O)cc1C
InChIInChI=1S/C18H18N2O4/c1-12-7-8-15(9-13(12)2)19-18(23)20-17(22)11-24-16-6-4-3-5-14(16)10-21/h3-10H,11H2,1-2H3,(H2,19,20,22,23)
InChIKeyWJCUTBHMEFVFAT-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.84
Rot. Bonds5

About N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide

N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide (PubChem CID 24520868) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide.

Molecular Properties

Compound NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide
PubChem CID24520868
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide
SMILESCc1ccc(NC(=O)NC(=O)COc2ccccc2C=O)cc1C
InChIInChI=1S/C18H18N2O4/c1-12-7-8-15(9-13(12)2)19-18(23)20-17(22)11-24-16-6-4-3-5-14(16)10-21/h3-10H,11H2,1-2H3,(H2,19,20,22,23)
InChIKeyWJCUTBHMEFVFAT-UHFFFAOYSA-N
XLogP2.84
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-formylphenoxy)-N-(2,4,6-trimethylphenyl)acetamide
CID 7763070
2-(2-formylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7762657
N-(4-bromophenyl)-2-(2-formylphenoxy)acetamide
CID 7128222
2-(2-formylphenoxy)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 7763032
N-(2,3-dihydro-1H-inden-5-yl)-2-(2-formylphenoxy)acetamide
CID 7762710
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-benzamidoacetate
CID 40755424
2-(2,3-dimethoxyphenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 112978425
2-(2,3-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 30157512
4-(2-aminophenoxy)-N-(3,4-dimethylphenyl)butanamide
CID 84553818
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-amino-4-fluorobenzoate
CID 9477531
methyl 2-(2-formylphenoxy)acetate
CID 5151625
[2-[(3,4-dimethylphenyl)carbamoylamino]-2-oxoethyl] 2-(4-chlorophenoxy)acetate
CID 27213272

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide?
The IUPAC name of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide (CID 24520868) is N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide.
What is the SMILES notation for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide?
The canonical SMILES for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide is Cc1ccc(NC(=O)NC(=O)COc2ccccc2C=O)cc1C.
What is the InChIKey of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide?
The InChIKey is WJCUTBHMEFVFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-12-7-8-15(9-13(12)2)19-18(23)20-17(22)11-24-16-6-4-3-5-14(16)10-21/h3-10H,11H2,1-2H3,(H2,19,20,22,23).
What are the key properties of N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide?
N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide has a molecular weight of 326.35 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylphenyl)carbamoyl]-2-(2-formylphenoxy)acetamide is sourced from PubChem (CID 24520868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).