2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate

C22H38N2O2 — CID 110185768

IUPAC2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
SMILESCCC(C)COC(=O)C(NCCN(CC)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H38N2O2/c1-7-18(6)16-26-22(25)21(23-14-15-24(8-2)9-3)20-12-10-19(11-13-20)17(4)5/h10-13,17-18,21,23H,7-9,14-16H2,1-6H3
InChIKeyYLIQXLFCNCGJGI-UHFFFAOYSA-N
MW362.56 g/mol
LogP4.37
Rot. Bonds12

About 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate

2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate (PubChem CID 110185768) has the molecular formula C22H38N2O2 and a molecular weight of 362.56 g/mol. Its IUPAC name is 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate.

Molecular Properties

Compound Name2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
PubChem CID110185768
Molecular FormulaC22H38N2O2
Molecular Weight362.56 g/mol
Exact Mass362.29
IUPAC Name2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
SMILESCCC(C)COC(=O)C(NCCN(CC)CC)c1ccc(C(C)C)cc1
InChIInChI=1S/C22H38N2O2/c1-7-18(6)16-26-22(25)21(23-14-15-24(8-2)9-3)20-12-10-19(11-13-20)17(4)5/h10-13,17-18,21,23H,7-9,14-16H2,1-6H3
InChIKeyYLIQXLFCNCGJGI-UHFFFAOYSA-N
XLogP4.37
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)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

methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 51590030
3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-[4-(trifluoromethyl)phenyl]acetate
CID 110185867
2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)ethanol
CID 61049233
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110185926
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
ethyl 2-(2-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetate
CID 60994243
2-(3,4-dichlorophenyl)-2-[2-(diethylamino)ethylamino]acetic acid
CID 60994785
1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110186176
2-(3-bromo-4-chlorophenyl)-2-[2-(diethylamino)ethylamino]acetamide
CID 83230961
ethyl 2-(2-azidoethylamino)-2-(4-propan-2-ylphenyl)acetate
CID 66190428

Frequently Asked Questions

What is the IUPAC name of 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate?
The IUPAC name of 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate (CID 110185768) is 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate.
What is the SMILES notation for 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate?
The canonical SMILES for 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate is CCC(C)COC(=O)C(NCCN(CC)CC)c1ccc(C(C)C)cc1.
What is the InChIKey of 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate?
The InChIKey is YLIQXLFCNCGJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H38N2O2/c1-7-18(6)16-26-22(25)21(23-14-15-24(8-2)9-3)20-12-10-19(11-13-20)17(4)5/h10-13,17-18,21,23H,7-9,14-16H2,1-6H3.
What are the key properties of 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate?
2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate has a molecular weight of 362.56 g/mol, XLogP of 4.37, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate is sourced from PubChem (CID 110185768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).