2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide

C14H20N2O2 — CID 62134065

IUPAC2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(C=O)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-5-16(9-14(18)15(3)4)13-7-6-12(10-17)11(2)8-13/h6-8,10H,5,9H2,1-4H3
InChIKeyROQSSLVDMISARM-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.72
Rot. Bonds5

About 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide

2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide (PubChem CID 62134065) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
PubChem CID62134065
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)c1ccc(C=O)c(C)c1
InChIInChI=1S/C14H20N2O2/c1-5-16(9-14(18)15(3)4)13-7-6-12(10-17)11(2)8-13/h6-8,10H,5,9H2,1-4H3
InChIKeyROQSSLVDMISARM-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(dipropylamino)-2-methylbenzaldehyde
CID 14848763
4-[bis(2-ethoxyethyl)amino]-2-methylbenzaldehyde
CID 82951514
2-[ethyl-(3-hydroxy-1-methyl-2-oxo-3H-indol-6-yl)amino]-N,N-dimethylacetamide
CID 81301637
2-amino-4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]benzoic acid
CID 104500358
4-[ethyl(thiophen-2-ylmethyl)amino]-2-methylbenzaldehyde
CID 62135933
4-formyl-N,N,3-trimethylbenzamide
CID 131310713
4-[ethyl(propan-2-yl)amino]-2-methylbenzaldehyde
CID 62134905
4-(N-ethyl-4-methylanilino)-2-methylbenzaldehyde
CID 55223236
5-(diethylamino)-2-formylbenzoic acid
CID 20568014
2-[4-(ethylaminomethyl)-3-methyl-N-propylanilino]-N,N-dimethylacetamide
CID 62129619
2-(4-amino-N-ethyl-3-methoxyanilino)-N,N-dimethylacetamide
CID 63670161
4-[butan-2-yl(ethyl)amino]-2-methylbenzaldehyde
CID 62135587

Frequently Asked Questions

What is the IUPAC name of 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide (CID 62134065) is 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)c1ccc(C=O)c(C)c1.
What is the InChIKey of 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide?
The InChIKey is ROQSSLVDMISARM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-5-16(9-14(18)15(3)4)13-7-6-12(10-17)11(2)8-13/h6-8,10H,5,9H2,1-4H3.
What are the key properties of 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide?
2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide has a molecular weight of 248.33 g/mol, XLogP of 1.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethyl-4-formyl-3-methylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 62134065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).