2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide

C20H27N3O — CID 109000006

IUPAC2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)19-12-10-18(11-13-19)22-16-20(24)21-15-14-17-8-6-5-7-9-17/h5-13,22H,3-4,14-16H2,1-2H3,(H,21,24)
InChIKeySBYXQWSHZLKQGD-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.30
Rot. Bonds9

About 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide

2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide (PubChem CID 109000006) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
PubChem CID109000006
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide
SMILESCCN(CC)c1ccc(NCC(=O)NCCc2ccccc2)cc1
InChIInChI=1S/C20H27N3O/c1-3-23(4-2)19-12-10-18(11-13-19)22-16-20(24)21-15-14-17-8-6-5-7-9-17/h5-13,22H,3-4,14-16H2,1-2H3,(H,21,24)
InChIKeySBYXQWSHZLKQGD-UHFFFAOYSA-N
XLogP3.30
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.30
H-Bond Donors ≤ 52
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

4-N,4-N-diethyl-1-N-(2-phenylethyl)benzene-1,4-diamine
CID 39367289
2-[4-(diethylamino)anilino]-N-phenylacetamide
CID 70365941
2-[4-(diethylamino)anilino]-N-[4-(diethylamino)phenyl]acetamide
CID 109010373
N-methyl-3-[[2-oxo-2-(2-phenylethylamino)ethyl]amino]-N-phenylbenzamide
CID 54837353
2-[4-(diethylamino)anilino]acetic acid;dihydrochloride
CID 131880910
2-(naphthalen-2-ylamino)-N-(2-phenylethyl)acetamide
CID 26417168
2-[4-(2-methylpropoxy)anilino]-N-(2-phenylethyl)acetamide
CID 54820433
2-[4-(4-methylimidazol-1-yl)anilino]-N-(2-phenylethyl)acetamide
CID 70796311
2-[4-(diethylamino)anilino]-N-(2-methylphenyl)acetamide
CID 109007146
N,N-diethyl-4-[[2-oxo-2-[4-(3-phenylpropanoylamino)anilino]ethyl]amino]benzamide
CID 54834109
N,N-diethyl-4-(2-phenylethylamino)benzamide
CID 174426094
2-(2,6-diethylanilino)-N-(2-phenylethyl)acetamide
CID 108999995

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide (CID 109000006) is 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide is CCN(CC)c1ccc(NCC(=O)NCCc2ccccc2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide?
The InChIKey is SBYXQWSHZLKQGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-3-23(4-2)19-12-10-18(11-13-19)22-16-20(24)21-15-14-17-8-6-5-7-9-17/h5-13,22H,3-4,14-16H2,1-2H3,(H,21,24).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide?
2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide has a molecular weight of 325.46 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(2-phenylethyl)acetamide is sourced from PubChem (CID 109000006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).