oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol

C19H23NO6 — CID 2977357

IUPACoxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
SMILESCC(O)CNCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO2.C2H2O4/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15;3-1(4)2(5)6/h2-10,14,18-19H,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyHHWOIEKZSAJBGJ-UHFFFAOYSA-N
MW361.39 g/mol
LogP1.86
Rot. Bonds7

About oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol

oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol (PubChem CID 2977357) has the molecular formula C19H23NO6 and a molecular weight of 361.39 g/mol. Its IUPAC name is oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol.

Molecular Properties

Compound Nameoxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
PubChem CID2977357
Molecular FormulaC19H23NO6
Molecular Weight361.39 g/mol
Exact Mass361.15
IUPAC Nameoxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol
SMILESCC(O)CNCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C17H21NO2.C2H2O4/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15;3-1(4)2(5)6/h2-10,14,18-19H,11-13H2,1H3;(H,3,4)(H,5,6)
InChIKeyHHWOIEKZSAJBGJ-UHFFFAOYSA-N
XLogP1.86
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Alprenolol
CID 2119
Esmolol
CID 59768
Penbutolol
CID 37464
Alprenolol Hydrochloride
CID 66368
Alprenolol, (S)-
CID 204665
Berlafenone
CID 65691
1-((1-Methylethyl)amino)-3-(2-propylphenoxy)-2-propanol
CID 43216
SR-59230A
CID 9888075
2-Propanol, 1-((1-methylethyl)amino)-3-(2-(2-propenyl)phenoxy)-, (R)-
CID 203685
Procinolol
CID 71707
(+-)-Penbutolol
CID 4724
Exaprolol Hydrochloride
CID 65484

Frequently Asked Questions

What is the IUPAC name of oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
The IUPAC name of oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol (CID 2977357) is oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol.
What is the SMILES notation for oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
The canonical SMILES for oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol is CC(O)CNCCOc1ccccc1-c1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
The InChIKey is HHWOIEKZSAJBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO2.C2H2O4/c1-14(19)13-18-11-12-20-17-10-6-5-9-16(17)15-7-3-2-4-8-15;3-1(4)2(5)6/h2-10,14,18-19H,11-13H2,1H3;(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol?
oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol has a molecular weight of 361.39 g/mol, XLogP of 1.86, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1-[2-(2-phenylphenoxy)ethylamino]propan-2-ol is sourced from PubChem (CID 2977357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).