2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide

C14H18N2O5 — CID 9480867

IUPAC2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)NCC(=O)N(C)C
InChIInChI=1S/C14H18N2O5/c1-16(2)14(19)7-15-13(18)9-21-11-5-4-10(8-17)6-12(11)20-3/h4-6,8H,7,9H2,1-3H3,(H,15,18)
InChIKeyHUWIZKXLAQTXCH-UHFFFAOYSA-N
MW294.31 g/mol
LogP0.09
Rot. Bonds7

About 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide

2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide (PubChem CID 9480867) has the molecular formula C14H18N2O5 and a molecular weight of 294.31 g/mol. Its IUPAC name is 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
PubChem CID9480867
Molecular FormulaC14H18N2O5
Molecular Weight294.31 g/mol
Exact Mass294.12
IUPAC Name2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
SMILESCOc1cc(C=O)ccc1OCC(=O)NCC(=O)N(C)C
InChIInChI=1S/C14H18N2O5/c1-16(2)14(19)7-15-13(18)9-21-11-5-4-10(8-17)6-12(11)20-3/h4-6,8H,7,9H2,1-3H3,(H,15,18)
InChIKeyHUWIZKXLAQTXCH-UHFFFAOYSA-N
XLogP0.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-carbamoyl-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 24694058
methyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 882523
N-[2-(4-ethoxyphenoxy)ethyl]-2-(4-formyl-2-methoxyphenoxy)acetamide
CID 34060908
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-ethylacetamide
CID 9201164
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611948
2-(2-ethoxy-4-formylphenoxy)-N-ethylacetamide
CID 2110936
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
2-[[2-(2-ethoxy-4-formylphenoxy)acetyl]amino]-N-propylacetamide
CID 9201158
2-(2-ethoxy-4-formylphenoxy)-N-[(3,4,5-trimethoxyphenyl)methyl]acetamide
CID 36545646
N-ethyl-3-(4-formyl-2-methoxyphenoxy)propanamide
CID 62326485
2-(2-ethoxy-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 35721007
2-[[2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetyl]amino]acetamide
CID 9296003

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide (CID 9480867) is 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide is COc1cc(C=O)ccc1OCC(=O)NCC(=O)N(C)C.
What is the InChIKey of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is HUWIZKXLAQTXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O5/c1-16(2)14(19)7-15-13(18)9-21-11-5-4-10(8-17)6-12(11)20-3/h4-6,8H,7,9H2,1-3H3,(H,15,18).
What are the key properties of 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 294.31 g/mol, XLogP of 0.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-formyl-2-methoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 9480867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).