2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide

C16H22N2O5 — CID 9017740

IUPAC2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C16H22N2O5/c1-4-7-22-13-6-5-12(10-19)14(8-13)23-11-15(20)17-9-16(21)18(2)3/h5-6,8,10H,4,7,9,11H2,1-3H3,(H,17,20)
InChIKeyKEWGOEOMLXERJL-UHFFFAOYSA-N
MW322.36 g/mol
LogP0.87
Rot. Bonds9

About 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide

2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide (PubChem CID 9017740) has the molecular formula C16H22N2O5 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
PubChem CID9017740
Molecular FormulaC16H22N2O5
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Name2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)NCC(=O)N(C)C)c1
InChIInChI=1S/C16H22N2O5/c1-4-7-22-13-6-5-12(10-19)14(8-13)23-11-15(20)17-9-16(21)18(2)3/h5-6,8,10H,4,7,9,11H2,1-3H3,(H,17,20)
InChIKeyKEWGOEOMLXERJL-UHFFFAOYSA-N
XLogP0.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 50.87
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-ethyl-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 43388307
2-(2-formyl-5-propoxyphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 43388394
N-(4-ethylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960500
butyl 2-(2-formyl-5-propoxyphenoxy)acetate
CID 60644190
N-(4-acetylphenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960522
2-(2-bromoprop-2-enoxy)-4-propoxybenzaldehyde
CID 60874336
2-[3-(dimethylamino)propoxy]-4-propoxybenzaldehyde
CID 114525440
N-(3-fluorophenyl)-2-(2-formyl-5-propoxyphenoxy)acetamide
CID 7960384
3-(2-formyl-5-propoxyphenoxy)-2,2-dimethylpropanoic acid
CID 79623386
methyl 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 7960405
2-(2-ethyl-2-hydroxybutoxy)-4-propoxybenzaldehyde
CID 114493979
2-(2-formyl-5-propoxyphenoxy)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 7960465

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide (CID 9017740) is 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide is CCCOc1ccc(C=O)c(OCC(=O)NCC(=O)N(C)C)c1.
What is the InChIKey of 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
The InChIKey is KEWGOEOMLXERJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5/c1-4-7-22-13-6-5-12(10-19)14(8-13)23-11-15(20)17-9-16(21)18(2)3/h5-6,8,10H,4,7,9,11H2,1-3H3,(H,17,20).
What are the key properties of 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide?
2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide has a molecular weight of 322.36 g/mol, XLogP of 0.87, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-formyl-5-propoxyphenoxy)acetyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 9017740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).