2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium

C19H25N2O4+ — CID 24848295

IUPAC2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
SMILESCc1ccccc1OCC(O)C[NH2+]CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/p+1
InChIKeySKQDKFOTIPJUSV-UHFFFAOYSA-O
MW345.42 g/mol
LogP0.48
Rot. Bonds10

About 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium

2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium (PubChem CID 24848295) has the molecular formula C19H25N2O4+ and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium.

Molecular Properties

Compound Name2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
PubChem CID24848295
Molecular FormulaC19H25N2O4+
Molecular Weight345.42 g/mol
Exact Mass345.18
IUPAC Name2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium
SMILESCc1ccccc1OCC(O)C[NH2+]CCOc1ccc(C(N)=O)cc1
InChIInChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/p+1
InChIKeySKQDKFOTIPJUSV-UHFFFAOYSA-O
XLogP0.48
TPSA98.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[2-(2-methylphenoxy)ethoxy]benzamide
CID 7893411
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
1-[4-(aminomethyl)phenoxy]-3-(2-methylphenoxy)propan-2-ol
CID 43531505
4-[2-[(1R)-1-hydroxyethyl]phenoxy]benzamide
CID 55182876
4-(4-benzoylphenoxy)butyl-[(2S)-2-hydroxypropyl]azanium
CID 7374879
4-[2-[[2-hydroxy-3-[3-(hydroxyiminomethyl)-2-methylphenoxy]propyl]amino]propoxy]benzamide
CID 88795408
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
4-(2-sulfanylpropoxy)benzamide
CID 137429548
2-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]ethylurea
CID 83121216
N-[amino-[[2-hydroxy-3-(2-methylphenoxy)propyl]-propan-2-ylamino]methylidene]benzamide
CID 13085582
3-methyl-4-[(2-methylphenoxy)methyl]benzamide
CID 114486222
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The IUPAC name of 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium (CID 24848295) is 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium.
What is the SMILES notation for 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The canonical SMILES for 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium is Cc1ccccc1OCC(O)C[NH2+]CCOc1ccc(C(N)=O)cc1.
What is the InChIKey of 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
The InChIKey is SKQDKFOTIPJUSV-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H24N2O4/c1-14-4-2-3-5-18(14)25-13-16(22)12-21-10-11-24-17-8-6-15(7-9-17)19(20)23/h2-9,16,21-22H,10-13H2,1H3,(H2,20,23)/p+1.
What are the key properties of 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium?
2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium has a molecular weight of 345.42 g/mol, XLogP of 0.48, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carbamoylphenoxy)ethyl-[2-hydroxy-3-(2-methylphenoxy)propyl]azanium is sourced from PubChem (CID 24848295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).