2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide

C19H25N3O — CID 108998932

IUPAC2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-4-22(14-16-8-6-5-7-9-16)15-19(23)20-17-10-12-18(13-11-17)21(2)3/h5-13H,4,14-15H2,1-3H3,(H,20,23)
InChIKeyROMXBWYYZQHWLN-UHFFFAOYSA-N
MW311.43 g/mol
LogP3.21
Rot. Bonds7

About 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide

2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide (PubChem CID 108998932) has the molecular formula C19H25N3O and a molecular weight of 311.43 g/mol. Its IUPAC name is 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
PubChem CID108998932
Molecular FormulaC19H25N3O
Molecular Weight311.43 g/mol
Exact Mass311.20
IUPAC Name2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide
SMILESCCN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1
InChIInChI=1S/C19H25N3O/c1-4-22(14-16-8-6-5-7-9-16)15-19(23)20-17-10-12-18(13-11-17)21(2)3/h5-13H,4,14-15H2,1-3H3,(H,20,23)
InChIKeyROMXBWYYZQHWLN-UHFFFAOYSA-N
XLogP3.21
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[benzyl(ethyl)amino]-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 8533359
2-(dibenzylamino)-N-(4-methylphenyl)acetamide
CID 18870817
2-[benzyl(methyl)amino]-N-[4-(diethylamino)phenyl]acetamide
CID 27133835
N-[4-(dimethylamino)phenyl]-2-phenylacetamide
CID 4095589
N'-benzyl-N-[4-(dimethylamino)phenyl]-N'-ethyloxamide
CID 108523230
2-(dibenzylamino)-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 18170938
N-[4-(dimethylamino)phenyl]-3-phenylpropanamide
CID 874810
N-[4-[4-(dimethylamino)anilino]phenyl]-2-phenylacetamide
CID 112988673
2-[benzyl(ethyl)amino]-N-(2,6-diethylphenyl)acetamide
CID 78787460
2-(dimethylamino)-N-[4-(dimethylamino)phenyl]acetamide
CID 18870888
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[benzyl(ethyl)amino]acetamide
CID 8563826
2-[benzyl(ethyl)amino]-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 8541265

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The IUPAC name of 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide (CID 108998932) is 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide.
What is the SMILES notation for 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The canonical SMILES for 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide is CCN(CC(=O)Nc1ccc(N(C)C)cc1)Cc1ccccc1.
What is the InChIKey of 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
The InChIKey is ROMXBWYYZQHWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O/c1-4-22(14-16-8-6-5-7-9-16)15-19(23)20-17-10-12-18(13-11-17)21(2)3/h5-13H,4,14-15H2,1-3H3,(H,20,23).
What are the key properties of 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide?
2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide has a molecular weight of 311.43 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(ethyl)amino]-N-[4-(dimethylamino)phenyl]acetamide is sourced from PubChem (CID 108998932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).