2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide

C21H29N3O — CID 56540512

IUPAC2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(N(C)C)c(C)c1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-6-24(7-2)20(17-11-9-8-10-12-17)21(25)22-18-13-14-19(23(4)5)16(3)15-18/h8-15,20H,6-7H2,1-5H3,(H,22,25)
InChIKeyFDXKFQHZIWULFK-UHFFFAOYSA-N
MW339.48 g/mol
LogP4.08
Rot. Bonds7

About 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide

2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide (PubChem CID 56540512) has the molecular formula C21H29N3O and a molecular weight of 339.48 g/mol. Its IUPAC name is 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide.

Molecular Properties

Compound Name2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
PubChem CID56540512
Molecular FormulaC21H29N3O
Molecular Weight339.48 g/mol
Exact Mass339.23
IUPAC Name2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide
SMILESCCN(CC)C(C(=O)Nc1ccc(N(C)C)c(C)c1)c1ccccc1
InChIInChI=1S/C21H29N3O/c1-6-24(7-2)20(17-11-9-8-10-12-17)21(25)22-18-13-14-19(23(4)5)16(3)15-18/h8-15,20H,6-7H2,1-5H3,(H,22,25)
InChIKeyFDXKFQHZIWULFK-UHFFFAOYSA-N
XLogP4.08
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.48
LogP ≤ 54.08
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-(diethylamino)-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 56538563
N-(4-bromo-2-methylphenyl)-2-(diethylamino)-2-phenylacetamide
CID 56538096
2-(diethylamino)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)-2-phenylacetamide
CID 71879037
2-(diethylamino)-N-[3-(3,5-dimethylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56580511
2-(diethylamino)-N-[3-(5-methylpyrazol-1-yl)phenyl]-2-phenylacetamide
CID 56538997
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]-2-phenylacetamide
CID 115376593
2-[ethyl(2-hydroxyethyl)amino]-N-(4-fluorophenyl)-2-phenylacetamide
CID 110881216
N-[3-(tert-butylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56538153
2-(diethylamino)-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]-2-phenylacetamide
CID 56540390
N-cyclohexyl-4-[[2-(diethylamino)-2-phenylacetyl]amino]-N-methylbenzamide
CID 56580229
N-[3-(cyclopropylsulfamoyl)phenyl]-2-(diethylamino)-2-phenylacetamide
CID 56581574
2-(diethylamino)-2-[4-(diethylamino)naphthalen-2-yl]-N-phenylacetamide
CID 70583478

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide?
The IUPAC name of 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide (CID 56540512) is 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide.
What is the SMILES notation for 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide?
The canonical SMILES for 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide is CCN(CC)C(C(=O)Nc1ccc(N(C)C)c(C)c1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide?
The InChIKey is FDXKFQHZIWULFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O/c1-6-24(7-2)20(17-11-9-8-10-12-17)21(25)22-18-13-14-19(23(4)5)16(3)15-18/h8-15,20H,6-7H2,1-5H3,(H,22,25).
What are the key properties of 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide?
2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide has a molecular weight of 339.48 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-N-[4-(dimethylamino)-3-methylphenyl]-2-phenylacetamide is sourced from PubChem (CID 56540512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).