2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

C19H32N2O2 — CID 110185926

IUPAC2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
SMILESCCN(CC)CCNC(C(=O)OC(C)(C)CC)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-6-19(4,5)23-18(22)17(16-12-10-9-11-13-16)20-14-15-21(7-2)8-3/h9-13,17,20H,6-8,14-15H2,1-5H3
InChIKeyYMYNJJBMMXTGFJ-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.39
Rot. Bonds10

About 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate

2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate (PubChem CID 110185926) has the molecular formula C19H32N2O2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.

Molecular Properties

Compound Name2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
PubChem CID110185926
Molecular FormulaC19H32N2O2
Molecular Weight320.48 g/mol
Exact Mass320.25
IUPAC Name2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
SMILESCCN(CC)CCNC(C(=O)OC(C)(C)CC)c1ccccc1
InChIInChI=1S/C19H32N2O2/c1-6-19(4,5)23-18(22)17(16-12-10-9-11-13-16)20-14-15-21(7-2)8-3/h9-13,17,20H,6-8,14-15H2,1-5H3
InChIKeyYMYNJJBMMXTGFJ-UHFFFAOYSA-N
XLogP3.39
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-[2-(diethylamino)ethylamino]-2-phenylacetamide
CID 54271969
3-methylbutyl (2R)-2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 51590030
1-adamantyl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110186176
decan-4-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate
CID 110186212
methyl 2-[2-(diethylamino)ethylamino]-2-(4-hydroxyphenyl)acetate
CID 60993508
2-[2-(diethylamino)ethylamino]-2-(4-ethoxyphenyl)acetic acid
CID 60993501
2-methylbutyl 2-[2-(diethylamino)ethylamino]-2-(4-propan-2-ylphenyl)acetate
CID 110185768
2-[2-(diethylamino)ethylamino]-2-[4-(dimethylamino)phenyl]acetic acid
CID 84748929
2-[2-(diethylamino)ethylamino]-2-(2-hydroxyphenyl)acetamide
CID 116684899
ethyl 2-[2-(diethylamino)ethylamino]-2-(2-fluorophenyl)acetate
CID 60994518
methyl 2-[2-(tert-butylamino)ethylamino]-2-phenylacetate
CID 107445566
3-methylbutyl 2-[2-(diethylamino)ethylamino]-2-[4-(trifluoromethyl)phenyl]acetate
CID 110185867

Frequently Asked Questions

What is the IUPAC name of 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The IUPAC name of 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate (CID 110185926) is 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate.
What is the SMILES notation for 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The canonical SMILES for 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate is CCN(CC)CCNC(C(=O)OC(C)(C)CC)c1ccccc1.
What is the InChIKey of 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
The InChIKey is YMYNJJBMMXTGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2O2/c1-6-19(4,5)23-18(22)17(16-12-10-9-11-13-16)20-14-15-21(7-2)8-3/h9-13,17,20H,6-8,14-15H2,1-5H3.
What are the key properties of 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate?
2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate has a molecular weight of 320.48 g/mol, XLogP of 3.39, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbutan-2-yl 2-[2-(diethylamino)ethylamino]-2-phenylacetate is sourced from PubChem (CID 110185926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).