2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride

C18H30ClNO3 — CID 20833921

IUPAC2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(O)(CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-5-19(6-2)12-13-22-17(20)18(21,14-15(3)4)16-10-8-7-9-11-16;/h7-11,15,21H,5-6,12-14H2,1-4H3;1H
InChIKeyFPACDZHXTXLIBG-UHFFFAOYSA-N
MW343.90 g/mol
LogP3.23
Rot. Bonds9

About 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride

2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride (PubChem CID 20833921) has the molecular formula C18H30ClNO3 and a molecular weight of 343.90 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
PubChem CID20833921
Molecular FormulaC18H30ClNO3
Molecular Weight343.90 g/mol
Exact Mass343.19
IUPAC Name2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(O)(CC(C)C)c1ccccc1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-5-19(6-2)12-13-22-17(20)18(21,14-15(3)4)16-10-8-7-9-11-16;/h7-11,15,21H,5-6,12-14H2,1-4H3;1H
InChIKeyFPACDZHXTXLIBG-UHFFFAOYSA-N
XLogP3.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.90
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diethylamino)ethyl 4-methyl-2,2-diphenylpentanoate
CID 10406675
2-(diethylamino)ethyl 2-hydroxy-2-(2-methylsulfanylphenyl)-2-phenylacetate
CID 117067116
2-(diethylamino)ethyl 2-hydroxy-2-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetate;hydrochloride
CID 138397138
bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 2-hydroxy-3-phenyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoate
CID 24840421
2-[butyl(ethyl)amino]ethyl 2-methoxy-2,2-diphenylacetate
CID 17997
ethane;2-[ethyl(propyl)amino]ethyl 2-ethyl-2,4-dimethylpentanoate
CID 142590813
2-[ethyl(propyl)amino]ethyl 2,4-dimethyl-2-propan-2-ylpentanoate
CID 118568248
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
butyl 3-amino-2-hydroxy-2-phenylpropanoate
CID 54483701
2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493319
benzyl (2S)-2-hydroxy-2-phenylbutanoate
CID 155930279

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride (CID 20833921) is 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride is CCN(CC)CCOC(=O)C(O)(CC(C)C)c1ccccc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride?
The InChIKey is FPACDZHXTXLIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.ClH/c1-5-19(6-2)12-13-22-17(20)18(21,14-15(3)4)16-10-8-7-9-11-16;/h7-11,15,21H,5-6,12-14H2,1-4H3;1H.
What are the key properties of 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride?
2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride has a molecular weight of 343.90 g/mol, XLogP of 3.23, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 2-hydroxy-4-methyl-2-phenylpentanoate;hydrochloride is sourced from PubChem (CID 20833921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).