2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide

C14H23N3O — CID 108994489

IUPAC2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCN(C)C)c(C)c1
InChIInChI=1S/C14H23N3O/c1-11-5-6-13(12(2)9-11)16-14(18)10-15-7-8-17(3)4/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyOAVWRQLIKIPZDQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.39
Rot. Bonds6

About 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide

2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide (PubChem CID 108994489) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
PubChem CID108994489
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CNCCN(C)C)c(C)c1
InChIInChI=1S/C14H23N3O/c1-11-5-6-13(12(2)9-11)16-14(18)10-15-7-8-17(3)4/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18)
InChIKeyOAVWRQLIKIPZDQ-UHFFFAOYSA-N
XLogP1.39
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-(dimethylamino)ethylamino]-N-(2,5-dimethylphenyl)propanamide
CID 109016422
2-(cyclopropylmethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 54924969
N-(2-tert-butylphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994503
N-(2-bromophenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 28586901
2-[2-(dimethylamino)ethylamino]-N-(2-fluorophenyl)acetamide
CID 28586883
N'-(2-bromo-4-methylphenyl)-N-[2-(dimethylamino)ethyl]propanediamide
CID 108943932
N-(2,4-dimethylphenyl)-3-(propylamino)propanamide
CID 109011557
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
2-(diethylamino)-N-(2,4-dimethylphenyl)acetamide
CID 28447
2-[[2-(dimethylamino)-2-oxoethyl]-methylamino]-N-(2,4-dimethylphenyl)acetamide
CID 8712055
N-(5-chloro-2-methylphenyl)-2-[3-(dimethylamino)propylamino]acetamide
CID 43405018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide (CID 108994489) is 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CNCCN(C)C)c(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide?
The InChIKey is OAVWRQLIKIPZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-5-6-13(12(2)9-11)16-14(18)10-15-7-8-17(3)4/h5-6,9,15H,7-8,10H2,1-4H3,(H,16,18).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-(2,4-dimethylphenyl)acetamide is sourced from PubChem (CID 108994489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).