[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium

C22H31N2O3+ — CID 5034063

IUPAC[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
SMILESCCC[NH+](CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H30N2O3/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)/p+1
InChIKeyWUHHKFJFGLSSEG-UHFFFAOYSA-O
MW371.50 g/mol
LogP2.38
Rot. Bonds11

About [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium

[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium (PubChem CID 5034063) has the molecular formula C22H31N2O3+ and a molecular weight of 371.50 g/mol. Its IUPAC name is [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium.

Molecular Properties

Compound Name[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
PubChem CID5034063
Molecular FormulaC22H31N2O3+
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC Name[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium
SMILESCCC[NH+](CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1
InChIInChI=1S/C22H30N2O3/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)/p+1
InChIKeyWUHHKFJFGLSSEG-UHFFFAOYSA-O
XLogP2.38
TPSA63.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.50
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(dipropylamino)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 53351492
[(2R)-3-(2-acetylphenoxy)-2-hydroxypropyl]-bis(2-hydroxyethyl)azanium
CID 2142702
2-ethoxy-N-[4-[(2-ethoxybenzoyl)amino]phenyl]benzamide
CID 1011206
2-[(2R)-3-(benzotriazol-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide
CID 6984025
N-[4-[(2S)-2-hydroxybutoxy]phenyl]-2-methoxybenzamide
CID 119051375
2-(2-methylpropoxy)-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4945295
2-[3-(2H-benzotriazol-1-ium-1-yl)-2-hydroxypropoxy]-N-phenylbenzamide chloride
CID 44658240
2-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17096753
N-[3-(butanoylamino)phenyl]-2-(2-methylpropoxy)benzamide
CID 17187605
2-(2-phenoxyethoxy)-N-(4-propoxyphenyl)benzamide
CID 4954419
N-(4-butan-2-ylphenyl)-2-ethoxybenzamide
CID 2852282
2-ethoxy-N-(4-hydroxyphenyl)benzamide
CID 836714

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium?
The IUPAC name of [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium (CID 5034063) is [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium.
What is the SMILES notation for [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium?
The canonical SMILES for [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium is CCC[NH+](CCC)CC(O)COc1ccccc1C(=O)Nc1ccccc1.
What is the InChIKey of [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium?
The InChIKey is WUHHKFJFGLSSEG-UHFFFAOYSA-O. The full InChI is InChI=1S/C22H30N2O3/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)/p+1.
What are the key properties of [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium?
[2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium has a molecular weight of 371.50 g/mol, XLogP of 2.38, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-[2-(phenylcarbamoyl)phenoxy]propyl]-dipropylazanium is sourced from PubChem (CID 5034063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).