2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid

C16H27N3O2 — CID 84748929

IUPAC2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-17-15(16(20)21)13-7-9-14(10-8-13)18(3)4/h7-10,15,17H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyWRUZTOSTSIQPIY-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.81
Rot. Bonds9

About 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid

2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid (PubChem CID 84748929) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
PubChem CID84748929
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
SMILESCCN(CC)CCNC(C(=O)O)c1ccc(N(C)C)cc1
InChIInChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-17-15(16(20)21)13-7-9-14(10-8-13)18(3)4/h7-10,15,17H,5-6,11-12H2,1-4H3,(H,20,21)
InChIKeyWRUZTOSTSIQPIY-UHFFFAOYSA-N
XLogP1.81
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

Analyze 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
2-[4-(dimethylamino)phenyl]-2-hydrazinylacetic acid
CID 82126690
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 54890478
2-[2-(diethylamino)ethylamino]-2-(1-propylpyrazol-4-yl)acetic acid
CID 103572149
N-[2-(diethylamino)ethyl]-4-(dimethylamino)benzamide
CID 47101000
N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969
2-[3-(diethylamino)propylamino]-2-(3-methylphenyl)acetic acid
CID 84750225
2-(2,3-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60993939
2-[4-(dimethylamino)phenyl]-2-(methanesulfonamido)acetic acid
CID 82093363
2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110185926

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid?
The IUPAC name of 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid (CID 84748929) is 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid?
The canonical SMILES for 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid is CCN(CC)CCNC(C(=O)O)c1ccc(N(C)C)cc1.
What is the InChIKey of 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid?
The InChIKey is WRUZTOSTSIQPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-5-19(6-2)12-11-17-15(16(20)21)13-7-9-14(10-8-13)18(3)4/h7-10,15,17H,5-6,11-12H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid?
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid has a molecular weight of 293.41 g/mol, XLogP of 1.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid is sourced from PubChem (CID 84748929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).