ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate

C20H26N2O2 — CID 102386115

IUPACethyl 2,2-bis[4-(dimethylamino)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-6-24-20(23)19(15-7-11-17(12-8-15)21(2)3)16-9-13-18(14-10-16)22(4)5/h7-14,19H,6H2,1-5H3
InChIKeyATAJXXICQWVBFR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.51
Rot. Bonds6

About ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate

ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate (PubChem CID 102386115) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate.

Molecular Properties

Compound Nameethyl 2,2-bis[4-(dimethylamino)phenyl]acetate
PubChem CID102386115
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Nameethyl 2,2-bis[4-(dimethylamino)phenyl]acetate
SMILESCCOC(=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1
InChIInChI=1S/C20H26N2O2/c1-6-24-20(23)19(15-7-11-17(12-8-15)21(2)3)16-9-13-18(14-10-16)22(4)5/h7-14,19H,6H2,1-5H3
InChIKeyATAJXXICQWVBFR-UHFFFAOYSA-N
XLogP3.51
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_F(14)', 'substructure': 'N/A'}

Analyze ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate 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

Anileridine
CID 8944
4-Piperidinecarboxylic acid, 1-(2-(4-aminophenyl)ethyl)-4-phenyl-, ethyl ester, hydrochloride (1:2)
CID 197194
Piminodine
CID 21950
Acetic acid, 2-(N,N-bis(2-chloroethyl)aminophenyl)-, octadecyl ester
CID 47882
Benzenepropanoic acid, 4-(3-butyl-3-methyl-1-triazenyl)-, ethyl ester
CID 64864
Methyl(4-piperidinophenyl)acetic acid
CID 213515
4-N,N-dimethylaminophenylacetic acid
CID 152203
2-(4-(Dimethylamino)phenyl)succinic acid
CID 4670834
ethyl 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 6263418
2-(Diethylamino)ethyl 1-(4-pyrrolidin-1-ylphenyl)cyclopentane-1-carboxylate;hydrochloride
CID 45261250
2-(4-Phenylpiperazin-1-yl)ethyl 1-phenylcyclopentane-1-carboxylate;hydrochloride
CID 45264309
(+/-)-threo-N-(4-Isothiocyanantobenzyl)methylphenidate
CID 52947493

Frequently Asked Questions

What is the IUPAC name of ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate?
The IUPAC name of ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate (CID 102386115) is ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate.
What is the SMILES notation for ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate?
The canonical SMILES for ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate is CCOC(=O)C(c1ccc(N(C)C)cc1)c1ccc(N(C)C)cc1.
What is the InChIKey of ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate?
The InChIKey is ATAJXXICQWVBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-6-24-20(23)19(15-7-11-17(12-8-15)21(2)3)16-9-13-18(14-10-16)22(4)5/h7-14,19H,6H2,1-5H3.
What are the key properties of ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate?
ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate has a molecular weight of 326.44 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,2-bis[4-(dimethylamino)phenyl]acetate is sourced from PubChem (CID 102386115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).