4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide

C13H20N2O4 — CID 115475945

IUPAC4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
SMILESCOCCNCC(O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O4/c1-18-7-6-15-8-11(16)9-19-12-4-2-10(3-5-12)13(14)17/h2-5,11,15-16H,6-9H2,1H3,(H2,14,17)
InChIKeyGYEYFNMHRNHAFQ-UHFFFAOYSA-N
MW268.31 g/mol
LogP-0.24
Rot. Bonds9

About 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide

4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide (PubChem CID 115475945) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide.

Molecular Properties

Compound Name4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
PubChem CID115475945
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide
SMILESCOCCNCC(O)COc1ccc(C(N)=O)cc1
InChIInChI=1S/C13H20N2O4/c1-18-7-6-15-8-11(16)9-19-12-4-2-10(3-5-12)13(14)17/h2-5,11,15-16H,6-9H2,1H3,(H2,14,17)
InChIKeyGYEYFNMHRNHAFQ-UHFFFAOYSA-N
XLogP-0.24
TPSA93.81 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-[[2-hydroxy-3-[4-(methanesulfonamido)phenoxy]propyl]amino]ethoxy]benzamide
CID 110169427
(2S)-1-(4-ethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39356436
1-(3,5-dimethylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 60633357
3-[[2-hydroxy-3-(4-methylphenoxy)propyl]amino]propanamide
CID 54938576
(2S)-1-(4-chloro-3-methylphenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 39372938
1-(3,5-difluorophenoxy)-3-(2-methoxyethylamino)propan-2-ol
CID 113317787
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
1-(4-fluorophenoxy)-3-[3-(2-methoxyethoxy)propylamino]propan-2-ol
CID 103603634
1-[2-(2-hydroxyethoxy)ethylamino]-3-(4-methoxyphenoxy)propan-2-ol
CID 60633049
4-[3-[2-[[3-(4-carbamimidoylphenoxy)-2-hydroxypropyl]amino]ethylamino]-2-hydroxypropoxy]benzenecarboximidamide;hydrochloride
CID 67131863
1-(4-methoxyphenoxy)-3-[2-(2-methylpropoxy)ethylamino]propan-2-ol
CID 115585709
2-[[3-(3,4-dichlorophenoxy)-2-hydroxypropyl]amino]ethyl carbamate
CID 83209571

Frequently Asked Questions

What is the IUPAC name of 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide?
The IUPAC name of 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide (CID 115475945) is 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide.
What is the SMILES notation for 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide?
The canonical SMILES for 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide is COCCNCC(O)COc1ccc(C(N)=O)cc1.
What is the InChIKey of 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide?
The InChIKey is GYEYFNMHRNHAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-18-7-6-15-8-11(16)9-19-12-4-2-10(3-5-12)13(14)17/h2-5,11,15-16H,6-9H2,1H3,(H2,14,17).
What are the key properties of 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide?
4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide has a molecular weight of 268.31 g/mol, XLogP of -0.24, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-hydroxy-3-(2-methoxyethylamino)propoxy]benzamide is sourced from PubChem (CID 115475945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).