2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide

C13H18N2O3 — CID 54989562

IUPAC2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(C=O)cc1
InChIInChI=1S/C13H18N2O3/c1-15(9-13(17)14-7-8-18-2)12-5-3-11(10-16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,14,17)
InChIKeySNICFIHOHQNQGA-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.70
Rot. Bonds7

About 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide

2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide (PubChem CID 54989562) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
PubChem CID54989562
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)CN(C)c1ccc(C=O)cc1
InChIInChI=1S/C13H18N2O3/c1-15(9-13(17)14-7-8-18-2)12-5-3-11(10-16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,14,17)
InChIKeySNICFIHOHQNQGA-UHFFFAOYSA-N
XLogP0.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-formyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 80638047
2-(4-acetyl-3-amino-N-methylanilino)-N-(2-methoxyethyl)acetamide
CID 104528615
1-N,2-N,3-N-tris[2-(4-formyl-N-methylanilino)ethyl]propane-1,2,3-tricarboxamide
CID 88912691
N-(2-methoxyethyl)-2-[methyl(1,2,3,4-tetrahydroquinolin-7-yl)amino]acetamide
CID 81214860
2-(2-amino-4-formylphenoxy)-N-(2-methoxyethyl)acetamide
CID 82057058
2-(3-hydroxy-N-methylanilino)-N-(3-methoxypropyl)acetamide
CID 75430959
N-(2-methoxyethyl)-2-[3-(N-methylanilino)propylamino]acetamide
CID 60693730
2-(N,4-diacetylanilino)-N-(2-methoxyethyl)acetamide
CID 113175557
2-(3-fluoro-N-methyl-5-nitroanilino)-N-(2-methoxyethyl)acetamide
CID 80752327
3-amino-2-[[2-(2-methoxyethylamino)-2-oxoethyl]-methylamino]benzoic acid
CID 115934570
2-[(3-amino-6-methyl-2-pyridinyl)-methylamino]-N-(2-methoxyethyl)acetamide
CID 81132098
N'-[4-(dimethylamino)phenyl]-N-(2-methoxyethyl)propanediamide
CID 108943193

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide (CID 54989562) is 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide is COCCNC(=O)CN(C)c1ccc(C=O)cc1.
What is the InChIKey of 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide?
The InChIKey is SNICFIHOHQNQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-15(9-13(17)14-7-8-18-2)12-5-3-11(10-16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,14,17).
What are the key properties of 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide?
2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide has a molecular weight of 250.30 g/mol, XLogP of 0.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-N-methylanilino)-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 54989562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).