[2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride

C18H30ClNO2 — CID 24835624

IUPAC[2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride
SMILESCCCCC(=O)OC(c1ccccc1)C(C)N(CC)CC.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-5-8-14-17(20)21-18(15(4)19(6-2)7-3)16-12-10-9-11-13-16;/h9-13,15,18H,5-8,14H2,1-4H3;1H
InChIKeyRIEZRHYUQGKMML-UHFFFAOYSA-N
MW327.90 g/mol
LogP4.61
Rot. Bonds9

About [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride

[2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride (PubChem CID 24835624) has the molecular formula C18H30ClNO2 and a molecular weight of 327.90 g/mol. Its IUPAC name is [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride.

Molecular Properties

Compound Name[2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride
PubChem CID24835624
Molecular FormulaC18H30ClNO2
Molecular Weight327.90 g/mol
Exact Mass327.20
IUPAC Name[2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride
SMILESCCCCC(=O)OC(c1ccccc1)C(C)N(CC)CC.Cl
InChIInChI=1S/C18H29NO2.ClH/c1-5-8-14-17(20)21-18(15(4)19(6-2)7-3)16-12-10-9-11-13-16;/h9-13,15,18H,5-8,14H2,1-4H3;1H
InChIKeyRIEZRHYUQGKMML-UHFFFAOYSA-N
XLogP4.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.90
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride?
The IUPAC name of [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride (CID 24835624) is [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride.
What is the SMILES notation for [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride?
The canonical SMILES for [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride is CCCCC(=O)OC(c1ccccc1)C(C)N(CC)CC.Cl.
What is the InChIKey of [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride?
The InChIKey is RIEZRHYUQGKMML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2.ClH/c1-5-8-14-17(20)21-18(15(4)19(6-2)7-3)16-12-10-9-11-13-16;/h9-13,15,18H,5-8,14H2,1-4H3;1H.
What are the key properties of [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride?
[2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride has a molecular weight of 327.90 g/mol, XLogP of 4.61, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(diethylamino)-1-phenylpropyl] pentanoate;hydrochloride is sourced from PubChem (CID 24835624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).