[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride

C22H35ClN2O4 — CID 3050009

IUPAC[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride
SMILESCCCN(CCC)CC(CCC(=O)N1CCOCC1)OC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H34N2O4.ClH/c1-3-12-23(13-4-2)18-20(28-22(26)19-8-6-5-7-9-19)10-11-21(25)24-14-16-27-17-15-24;/h5-9,20H,3-4,10-18H2,1-2H3;1H
InChIKeyJLPDELRFGBVDHY-UHFFFAOYSA-N
MW426.99 g/mol
LogP3.39
Rot. Bonds11

About [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride

[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride (PubChem CID 3050009) has the molecular formula C22H35ClN2O4 and a molecular weight of 426.99 g/mol. Its IUPAC name is [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride.

Molecular Properties

Compound Name[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride
PubChem CID3050009
Molecular FormulaC22H35ClN2O4
Molecular Weight426.99 g/mol
Exact Mass426.23
IUPAC Name[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride
SMILESCCCN(CCC)CC(CCC(=O)N1CCOCC1)OC(=O)c1ccccc1.Cl
InChIInChI=1S/C22H34N2O4.ClH/c1-3-12-23(13-4-2)18-20(28-22(26)19-8-6-5-7-9-19)10-11-21(25)24-14-16-27-17-15-24;/h5-9,20H,3-4,10-18H2,1-2H3;1H
InChIKeyJLPDELRFGBVDHY-UHFFFAOYSA-N
XLogP3.39
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.99
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride?
The IUPAC name of [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride (CID 3050009) is [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride.
What is the SMILES notation for [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride?
The canonical SMILES for [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride is CCCN(CCC)CC(CCC(=O)N1CCOCC1)OC(=O)c1ccccc1.Cl.
What is the InChIKey of [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride?
The InChIKey is JLPDELRFGBVDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34N2O4.ClH/c1-3-12-23(13-4-2)18-20(28-22(26)19-8-6-5-7-9-19)10-11-21(25)24-14-16-27-17-15-24;/h5-9,20H,3-4,10-18H2,1-2H3;1H.
What are the key properties of [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride?
[1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride has a molecular weight of 426.99 g/mol, XLogP of 3.39, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dipropylamino)-5-morpholin-4-yl-5-oxopentan-2-yl] benzoate;hydrochloride is sourced from PubChem (CID 3050009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).