2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate

C24H33NO2 — CID 10406675

IUPAC2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
SMILESCCN(CC)CCOC(=O)C(CC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-5-25(6-2)17-18-27-23(26)24(19-20(3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,5-6,17-19H2,1-4H3
InChIKeyUBAKENDNJJBKLH-UHFFFAOYSA-N
MW367.53 g/mol
LogP4.90
Rot. Bonds10

About 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate

2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate (PubChem CID 10406675) has the molecular formula C24H33NO2 and a molecular weight of 367.53 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate.

Molecular Properties

Compound Name2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
PubChem CID10406675
Molecular FormulaC24H33NO2
Molecular Weight367.53 g/mol
Exact Mass367.25
IUPAC Name2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
SMILESCCN(CC)CCOC(=O)C(CC(C)C)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H33NO2/c1-5-25(6-2)17-18-27-23(26)24(19-20(3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,5-6,17-19H2,1-4H3
InChIKeyUBAKENDNJJBKLH-UHFFFAOYSA-N
XLogP4.90
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.53
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
CID 20833921
2-(diethylamino)ethyl 2-hydroxy-2-(2-methylsulfanylphenyl)-2-phenylacetate
CID 117067116
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
CID 17997
2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 118568248
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
bis(2-methylpropyl) 2-(2-methylpropyl)-2-phenylpropanedioate
CID 118088533
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 138397138
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813
2-(dipropylamino)ethyl 2,4-dimethyl-2-propan-2-ylpentanoate;ethane
CID 142590810
ethyl 4-(diethylamino)-2-(methylamino)-2-phenylbutanoate
CID 116693533
2-[chloro(phenyl)methoxy]-N,N-diethylethanamine
CID 70132792

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate?
The IUPAC name of 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate (CID 10406675) is 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate.
What is the SMILES notation for 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate?
The canonical SMILES for 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate is CCN(CC)CCOC(=O)C(CC(C)C)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate?
The InChIKey is UBAKENDNJJBKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33NO2/c1-5-25(6-2)17-18-27-23(26)24(19-20(3)4,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h7-16,20H,5-6,17-19H2,1-4H3.
What are the key properties of 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate?
2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate has a molecular weight of 367.53 g/mol, XLogP of 4.90, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate is sourced from PubChem (CID 10406675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).