2-(3,5-dimethylanilino)-N,N-diethylacetamide

C14H22N2O — CID 28582869

IUPAC2-(3,5-dimethylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-16(6-2)14(17)10-15-13-8-11(3)7-12(4)9-13/h7-9,15H,5-6,10H2,1-4H3
InChIKeyCPANGWMBLOYRRP-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.58
Rot. Bonds5

About 2-(3,5-dimethylanilino)-N,N-diethylacetamide

2-(3,5-dimethylanilino)-N,N-diethylacetamide (PubChem CID 28582869) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-(3,5-dimethylanilino)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylanilino)-N,N-diethylacetamide
PubChem CID28582869
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-(3,5-dimethylanilino)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)CNc1cc(C)cc(C)c1
InChIInChI=1S/C14H22N2O/c1-5-16(6-2)14(17)10-15-13-8-11(3)7-12(4)9-13/h7-9,15H,5-6,10H2,1-4H3
InChIKeyCPANGWMBLOYRRP-UHFFFAOYSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloroanilino)-N,N-diethylacetamide
CID 28576153
N,N-bis(2-cyanoethyl)-2-(3,5-dimethylanilino)acetamide
CID 78822153
N-[2-(diethylamino)-2-oxoethyl]-3,5-dimethylbenzamide
CID 51161803
2-[(3,5-dimethylphenyl)methylamino]-N,N-diethylacetamide
CID 112687465
N,N-diethyl-2-(4-hydroxyanilino)acetamide
CID 11806273
2-anilino-N,N-diethylacetamide;hydrochloride
CID 119671427
N,N-diethyl-2-[(5-methylpyrimidin-2-yl)amino]acetamide
CID 115773989
2-(3-acetyl-4-aminoanilino)-N,N-diethylacetamide
CID 104613106
2-(3-chloroanilino)-N,N-diethylacetamide
CID 28580548
3-bromo-N-[2-(diethylamino)-2-oxoethyl]-5-methylbenzamide
CID 113460828
2-[(R)-[2-(diethylamino)-2-oxoethyl]sulfinyl]-N-(3,5-dimethylphenyl)acetamide
CID 99841875
4-[[2-(diethylamino)-2-oxoethyl]amino]pyridine-2-carboxylic acid
CID 113406283

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylanilino)-N,N-diethylacetamide?
The IUPAC name of 2-(3,5-dimethylanilino)-N,N-diethylacetamide (CID 28582869) is 2-(3,5-dimethylanilino)-N,N-diethylacetamide.
What is the SMILES notation for 2-(3,5-dimethylanilino)-N,N-diethylacetamide?
The canonical SMILES for 2-(3,5-dimethylanilino)-N,N-diethylacetamide is CCN(CC)C(=O)CNc1cc(C)cc(C)c1.
What is the InChIKey of 2-(3,5-dimethylanilino)-N,N-diethylacetamide?
The InChIKey is CPANGWMBLOYRRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(6-2)14(17)10-15-13-8-11(3)7-12(4)9-13/h7-9,15H,5-6,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylanilino)-N,N-diethylacetamide?
2-(3,5-dimethylanilino)-N,N-diethylacetamide has a molecular weight of 234.34 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylanilino)-N,N-diethylacetamide is sourced from PubChem (CID 28582869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).