2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride

C18H30ClNO3 — CID 45264976

IUPAC2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(CCCCO)c1ccccc1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-3-19(4-2)13-15-22-18(21)17(12-8-9-14-20)16-10-6-5-7-11-16;/h5-7,10-11,17,20H,3-4,8-9,12-15H2,1-2H3;1H
InChIKeyJULVEGBMHPELTQ-UHFFFAOYSA-N
MW343.89 g/mol
LogP3.24
Rot. Bonds11

About 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride

2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride (PubChem CID 45264976) has the molecular formula C18H30ClNO3 and a molecular weight of 343.89 g/mol. Its IUPAC name is 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride.

Molecular Properties

Compound Name2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride
PubChem CID45264976
Molecular FormulaC18H30ClNO3
Molecular Weight343.89 g/mol
Exact Mass343.19
IUPAC Name2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride
SMILESCCN(CC)CCOC(=O)C(CCCCO)c1ccccc1.Cl
InChIInChI=1S/C18H29NO3.ClH/c1-3-19(4-2)13-15-22-18(21)17(12-8-9-14-20)16-10-6-5-7-11-16;/h5-7,10-11,17,20H,3-4,8-9,12-15H2,1-2H3;1H
InChIKeyJULVEGBMHPELTQ-UHFFFAOYSA-N
XLogP3.24
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.89
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

bis[2-(diethylamino)ethyl] 2,3-diphenylbutanedioate
CID 3060795
2-(diethylamino)ethyl 2,2-diphenylacetate;hydron;chloride
CID 657315
butyl 2-phenyltetradecanoate
CID 70564720
2-(diethylamino)ethanol;2-phenylpentanoic acid;hydrochloride
CID 21117618
heptyl 2-phenylhexanoate
CID 67351180
butyl 12-hydroxy-2-phenyloctadecanoate
CID 139643450
2-(diethylamino)ethyl (E)-4,4-diphenylbut-2-enoate;hydrochloride
CID 175493319
methyl 2-phenylheptanoate
CID 143443478
2-phenylhexadecanoyl 2-phenylhexadecanoate
CID 89240017
benzyl 2-phenylheptanoate
CID 175026183
5-(diethylamino)-2-(2-phenylphenyl)pentanamide
CID 23453800
5-hydroxy-2-phenylpentanoic acid
CID 79006638

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride?
The IUPAC name of 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride (CID 45264976) is 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride.
What is the SMILES notation for 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride?
The canonical SMILES for 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride is CCN(CC)CCOC(=O)C(CCCCO)c1ccccc1.Cl.
What is the InChIKey of 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride?
The InChIKey is JULVEGBMHPELTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO3.ClH/c1-3-19(4-2)13-15-22-18(21)17(12-8-9-14-20)16-10-6-5-7-11-16;/h5-7,10-11,17,20H,3-4,8-9,12-15H2,1-2H3;1H.
What are the key properties of 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride?
2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride has a molecular weight of 343.89 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl 6-hydroxy-2-phenylhexanoate;hydrochloride is sourced from PubChem (CID 45264976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).