2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride

C22H31ClN2O3 — CID 16682516

IUPAC2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride
SMILESCCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-3-14-24(15-4-2)16-19(25)17-27-21-13-9-8-12-20(21)22(26)23-18-10-6-5-7-11-18;/h5-13,19,25H,3-4,14-17H2,1-2H3,(H,23,26);1H
InChIKeyHOTYSRJBBDKKBZ-UHFFFAOYSA-N
MW406.95 g/mol
LogP4.22
Rot. Bonds11

About 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride

2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride (PubChem CID 16682516) has the molecular formula C22H31ClN2O3 and a molecular weight of 406.95 g/mol. Its IUPAC name is 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride
PubChem CID16682516
Molecular FormulaC22H31ClN2O3
Molecular Weight406.95 g/mol
Exact Mass406.20
IUPAC Name2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride
SMILESCCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.Cl
InChIInChI=1S/C22H30N2O3.ClH/c1-3-14-24(15-4-2)16-19(25)17-27-21-13-9-8-12-20(21)22(26)23-18-10-6-5-7-11-18;/h5-13,19,25H,3-4,14-17H2,1-2H3,(H,23,26);1H
InChIKeyHOTYSRJBBDKKBZ-UHFFFAOYSA-N
XLogP4.22
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.95
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Otilonium
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Ncgc607
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Eterilate
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Salverine
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Frequently Asked Questions

What is the IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride?
The IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride (CID 16682516) is 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride.
What is the SMILES notation for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride?
The canonical SMILES for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride is CCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.Cl.
What is the InChIKey of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride?
The InChIKey is HOTYSRJBBDKKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3.ClH/c1-3-14-24(15-4-2)16-19(25)17-27-21-13-9-8-12-20(21)22(26)23-18-10-6-5-7-11-18;/h5-13,19,25H,3-4,14-17H2,1-2H3,(H,23,26);1H.
What are the key properties of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride?
2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride has a molecular weight of 406.95 g/mol, XLogP of 4.22, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide;hydrochloride is sourced from PubChem (CID 16682516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).