2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride

C22H30ClN2O3- — CID 53351492

IUPAC2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
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/p-1
InChIKeyHOTYSRJBBDKKBZ-UHFFFAOYSA-M
MW405.95 g/mol
LogP0.80
Rot. Bonds11

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

2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride (PubChem CID 53351492) has the molecular formula C22H30ClN2O3- and a molecular weight of 405.95 g/mol. Its IUPAC name is 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride.

Molecular Properties

Compound Name2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
PubChem CID53351492
Molecular FormulaC22H30ClN2O3-
Molecular Weight405.95 g/mol
Exact Mass405.20
IUPAC Name2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
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/p-1
InChIKeyHOTYSRJBBDKKBZ-UHFFFAOYSA-M
XLogP0.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.95
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
CID 5034063
1-[2-[3-[bis(2-hydroxyethyl)amino]-2-hydroxypropoxy]phenyl]ethanone
CID 16807424
[3-(dipropylamino)-2-hydroxypropyl] N-phenylcarbamate;hydrochloride
CID 138401907
1-[2-[(2S)-2-hydroxy-3-[[(2S)-2-hydroxy-3-[2-(3-phenylpropanoyl)phenoxy]propyl]-propylamino]propoxy]phenyl]-3-phenylpropan-1-one
CID 76956070
2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 44658240
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
CID 119051375
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4945295
1-[2-[(2R)-3-(diethylamino)-2-hydroxypropoxy]phenyl]-3-phenylpropan-1-one
CID 1353093
2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
CID 6984025
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride?
The IUPAC name of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride (CID 53351492) is 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride.
What is the SMILES notation for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride?
The canonical SMILES for 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride is CCCN(CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.[Cl-].
What is the InChIKey of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride?
The InChIKey is HOTYSRJBBDKKBZ-UHFFFAOYSA-M. 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/p-1.
What are the key properties of 2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride?
2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride has a molecular weight of 405.95 g/mol, XLogP of 0.80, 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 chloride is sourced from PubChem (CID 53351492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).