2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide

C14H23N3O — CID 108994496

IUPAC2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CNCCN(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-4-12-5-7-13(8-6-12)16-14(18)11-15-9-10-17(2)3/h5-8,15H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyYBQRLHGQUSWMNU-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.34
Rot. Bonds7

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

2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide (PubChem CID 108994496) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
PubChem CID108994496
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)CNCCN(C)C)cc1
InChIInChI=1S/C14H23N3O/c1-4-12-5-7-13(8-6-12)16-14(18)11-15-9-10-17(2)3/h5-8,15H,4,9-11H2,1-3H3,(H,16,18)
InChIKeyYBQRLHGQUSWMNU-UHFFFAOYSA-N
XLogP1.34
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.34
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

2-(butylamino)-N-(4-ethylphenyl)acetamide
CID 108993075
2-[2-(dimethylamino)ethylamino]-N-(4-propan-2-ylphenyl)acetamide
CID 108994500
2-[2-(4-chlorophenyl)ethylamino]-N-(4-ethylphenyl)acetamide
CID 109002843
2-[2-(dimethylamino)ethylamino]-N-(4-phenoxyphenyl)acetamide
CID 23653294
2-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)acetamide
CID 108994541
N-(3,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994520
N-(1,3-benzodioxol-5-yl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994545
N-(4-ethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]acetamide
CID 109005223
2-[acetyl-[3-(dimethylamino)propyl]amino]-N-(4-ethylphenyl)acetamide
CID 113160867
N-[(4-ethylphenyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 3576210
N-(4-acetylphenyl)-2-(4-ethylanilino)acetamide
CID 37465418
N-(4-ethylphenyl)-N'-(4-fluorophenyl)propanediamide
CID 108954018

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide (CID 108994496) is 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)CNCCN(C)C)cc1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide?
The InChIKey is YBQRLHGQUSWMNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-4-12-5-7-13(8-6-12)16-14(18)11-15-9-10-17(2)3/h5-8,15H,4,9-11H2,1-3H3,(H,16,18).
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-(4-ethylphenyl)acetamide has a molecular weight of 249.36 g/mol, XLogP of 1.34, 7 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-(4-ethylphenyl)acetamide is sourced from PubChem (CID 108994496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).