2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide

C15H25N3O — CID 108994566

IUPAC2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C15H25N3O/c1-5-18(14-8-6-7-13(2)11-14)15(19)12-16-9-10-17(3)4/h6-8,11,16H,5,9-10,12H2,1-4H3
InChIKeyDEKHQBNIBTYVEE-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.50
Rot. Bonds7

About 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide

2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide (PubChem CID 108994566) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
PubChem CID108994566
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide
SMILESCCN(C(=O)CNCCN(C)C)c1cccc(C)c1
InChIInChI=1S/C15H25N3O/c1-5-18(14-8-6-7-13(2)11-14)15(19)12-16-9-10-17(3)4/h6-8,11,16H,5,9-10,12H2,1-4H3
InChIKeyDEKHQBNIBTYVEE-UHFFFAOYSA-N
XLogP1.50
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-chlorophenyl)methylamino]-N-ethyl-N-(3-methylphenyl)acetamide
CID 108998199
N-ethyl-2-(ethylsulfonylamino)-N-(3-methylphenyl)acetamide
CID 113002186
2-(3-acetamidoanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 109009943
N-ethyl-N-(3-methylphenyl)-3-(prop-2-enylamino)propanamide
CID 109012170
N-ethyl-N-(3-methylphenyl)-3-[(2-methylphenyl)methylamino]propanamide
CID 109019406
N'-ethyl-N'-(3-methylphenyl)-N-propylpropanediamide
CID 108940770
3-amino-N-ethyl-N-(3-methylphenyl)propanamide
CID 22692119
N-ethyl-N-(3-methylphenyl)-3-(pentylamino)propanamide
CID 109032323
1-N-[2-(dimethylamino)ethyl]-4-N-ethyl-4-N-(3-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109147165
2-N-[2-(dimethylamino)ethyl]-1-N-ethyl-1-N-(3-methylphenyl)cyclopropane-1,2-dicarboxamide
CID 109133808
3-[butyl(methyl)amino]-N-ethyl-N-(3-methylphenyl)propanamide
CID 109032470
2-(N-acetyl-3-methylanilino)-N-ethyl-N-(3-methylphenyl)acetamide
CID 113167645

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The IUPAC name of 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide (CID 108994566) is 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide is CCN(C(=O)CNCCN(C)C)c1cccc(C)c1.
What is the InChIKey of 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
The InChIKey is DEKHQBNIBTYVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-5-18(14-8-6-7-13(2)11-14)15(19)12-16-9-10-17(3)4/h6-8,11,16H,5,9-10,12H2,1-4H3.
What are the key properties of 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide?
2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide has a molecular weight of 263.38 g/mol, XLogP of 1.50, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethylamino]-N-ethyl-N-(3-methylphenyl)acetamide is sourced from PubChem (CID 108994566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).