2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide

C14H22N2O — CID 47053554

IUPAC2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-5-16(11-14(17)15(3)4)10-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3
InChIKeyWSMKNEXBHZBXAU-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.91
Rot. Bonds5

About 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide

2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide (PubChem CID 47053554) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
PubChem CID47053554
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)Cc1ccc(C)cc1
InChIInChI=1S/C14H22N2O/c1-5-16(11-14(17)15(3)4)10-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3
InChIKeyWSMKNEXBHZBXAU-UHFFFAOYSA-N
XLogP1.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 43458823
2-[(4-cyanophenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 60968945
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methyl-N-[(4-methylphenyl)methyl]acetamide
CID 78963094
2-[ethyl-[(3-hydroxy-4-methoxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 82978813
N,N-dimethyl-2-(4-methylphenyl)acetamide
CID 4048798
2-[(2-amino-4-pyridinyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 62465889
ethyl 2-[(2-amino-2-oxoethyl)-[(4-methylphenyl)methyl]amino]acetate
CID 47425316
2-[benzyl(ethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908379
2-[(4-carbamothioyl-3-methoxyphenyl)methyl-ethylamino]-N,N-dimethylacetamide
CID 106788800
2-[(4-tert-butylphenyl)methyl-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 60504028
2-[ethyl-[3-(4-fluorophenyl)-2-oxopropyl]amino]-N,N-dimethylacetamide
CID 62034961
2-[ethyl-[(5-fluoro-2-hydroxyphenyl)methyl]amino]-N,N-dimethylacetamide
CID 103947530

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide (CID 47053554) is 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)Cc1ccc(C)cc1.
What is the InChIKey of 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
The InChIKey is WSMKNEXBHZBXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-16(11-14(17)15(3)4)10-13-8-6-12(2)7-9-13/h6-9H,5,10-11H2,1-4H3.
What are the key properties of 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide?
2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide has a molecular weight of 234.34 g/mol, XLogP of 1.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[(4-methylphenyl)methyl]amino]-N,N-dimethylacetamide is sourced from PubChem (CID 47053554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).