N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide

C11H12N2O5 — CID 24694058

IUPACN-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C11H12N2O5/c1-17-9-4-7(5-14)2-3-8(9)18-6-10(15)13-11(12)16/h2-5H,6H2,1H3,(H3,12,13,15,16)
InChIKeyGYIHKZAQSNSUIG-UHFFFAOYSA-N
MW252.23 g/mol
LogP0.08
Rot. Bonds5

About N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide

N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide (PubChem CID 24694058) has the molecular formula C11H12N2O5 and a molecular weight of 252.23 g/mol. Its IUPAC name is N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
PubChem CID24694058
Molecular FormulaC11H12N2O5
Molecular Weight252.23 g/mol
Exact Mass252.07
IUPAC NameN-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)NC(N)=O
InChIInChI=1S/C11H12N2O5/c1-17-9-4-7(5-14)2-3-8(9)18-6-10(15)13-11(12)16/h2-5H,6H2,1H3,(H3,12,13,15,16)
InChIKeyGYIHKZAQSNSUIG-UHFFFAOYSA-N
XLogP0.08
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.23
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]-N-carbamoylacetamide
CID 30114776
N-carbamoyl-2-(4-cyano-2-methoxyphenoxy)acetamide
CID 2492394
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
CID 9480867
N-(5-formyl-2-methoxyphenyl)-2-(2-methoxyphenoxy)acetamide
CID 94762984
2-(5-formyl-2-methoxyphenoxy)-N-phenylacetamide
CID 7611771
2-(4-formyl-2-methoxyphenoxy)-N-(2,4,5-trichlorophenyl)acetamide
CID 7894136
N-carbamoyl-2-[2-methoxy-4-(propylaminomethyl)phenoxy]acetamide
CID 43278640
N-(2,6-dibromo-4-methylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 26217987
N-(4-bromo-2,6-dimethylphenyl)-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 17201671

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The IUPAC name of N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide (CID 24694058) is N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide.
What is the SMILES notation for N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The canonical SMILES for N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide is COc1cc(C=O)ccc1OCC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
The InChIKey is GYIHKZAQSNSUIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O5/c1-17-9-4-7(5-14)2-3-8(9)18-6-10(15)13-11(12)16/h2-5H,6H2,1H3,(H3,12,13,15,16).
What are the key properties of N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide?
N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide has a molecular weight of 252.23 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide is sourced from PubChem (CID 24694058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).