2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide

C13H18N2O2 — CID 55039909

IUPAC2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide
SMILESCc1cc(C=O)ccc1N(C)CC(=O)N(C)C
InChIInChI=1S/C13H18N2O2/c1-10-7-11(9-16)5-6-12(10)15(4)8-13(17)14(2)3/h5-7,9H,8H2,1-4H3
InChIKeyKYZDANJKABUXTE-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.33
Rot. Bonds4

About 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide

2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide (PubChem CID 55039909) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide
PubChem CID55039909
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide
SMILESCc1cc(C=O)ccc1N(C)CC(=O)N(C)C
InChIInChI=1S/C13H18N2O2/c1-10-7-11(9-16)5-6-12(10)15(4)8-13(17)14(2)3/h5-7,9H,8H2,1-4H3
InChIKeyKYZDANJKABUXTE-UHFFFAOYSA-N
XLogP1.33
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.33
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-[2-chloroethyl(methyl)amino]-3-methylbenzaldehyde
CID 71336306
4-[1-hydroxypropan-2-yl(methyl)amino]-3-methylbenzaldehyde
CID 104552443
2-(N-ethyl-4-formyl-2-methylanilino)-N-propan-2-ylacetamide
CID 62120917
3-methyl-4-[methyl(4-methylpentan-2-yl)amino]benzaldehyde
CID 55040300
4-[2-hydroxyethyl(propyl)amino]-3-methylbenzaldehyde
CID 62121260
3-[(4-formyl-N,2-dimethylanilino)methyl]benzonitrile
CID 62971777
4-[ethyl(2-methylpropyl)amino]-3-methylbenzaldehyde
CID 62122123
4-(N-ethyl-4-methylanilino)-3-methylbenzaldehyde
CID 63536813
2-[4-fluoro-2-(hydroxymethyl)-N-methylanilino]-N,N-dimethylacetamide
CID 43375135
4-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-3-fluorobenzoic acid
CID 43375097
N,N-diethyl-2-[4-(ethylaminomethyl)-N,2-dimethylanilino]acetamide
CID 62124186
4-[1-cyclopropylethyl(methyl)amino]-3-methylbenzaldehyde
CID 62120911

Frequently Asked Questions

What is the IUPAC name of 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide?
The IUPAC name of 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide (CID 55039909) is 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide.
What is the SMILES notation for 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide?
The canonical SMILES for 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide is Cc1cc(C=O)ccc1N(C)CC(=O)N(C)C.
What is the InChIKey of 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide?
The InChIKey is KYZDANJKABUXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-7-11(9-16)5-6-12(10)15(4)8-13(17)14(2)3/h5-7,9H,8H2,1-4H3.
What are the key properties of 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide?
2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide has a molecular weight of 234.30 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formyl-N,2-dimethylanilino)-N,N-dimethylacetamide is sourced from PubChem (CID 55039909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).