2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide

C19H24N2O5 — CID 70440804

IUPAC2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1OCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H24N2O5/c20-19(23)14-26-18-9-5-4-8-17(18)24-11-10-21-12-15(22)13-25-16-6-2-1-3-7-16/h1-9,15,21-22H,10-14H2,(H2,20,23)
InChIKeyDUVGGJJNKYCGCV-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.96
Rot. Bonds12

About 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide

2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide (PubChem CID 70440804) has the molecular formula C19H24N2O5 and a molecular weight of 360.41 g/mol. Its IUPAC name is 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
PubChem CID70440804
Molecular FormulaC19H24N2O5
Molecular Weight360.41 g/mol
Exact Mass360.17
IUPAC Name2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
SMILESNC(=O)COc1ccccc1OCCNCC(O)COc1ccccc1
InChIInChI=1S/C19H24N2O5/c20-19(23)14-26-18-9-5-4-8-17(18)24-11-10-21-12-15(22)13-25-16-6-2-1-3-7-16/h1-9,15,21-22H,10-14H2,(H2,20,23)
InChIKeyDUVGGJJNKYCGCV-UHFFFAOYSA-N
XLogP0.96
TPSA103.04 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
1-(2,3-diaminophenoxy)-3-(2-phenoxyethylamino)propan-2-ol
CID 150763746
2-[4-[2-[(2-hydroxy-3-thiophen-3-yloxypropyl)amino]ethoxy]phenoxy]acetamide;hydrochloride
CID 70366767
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
N-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
1-[2-(7-oxabicyclo[2.2.1]hepta-1,3,5-trien-2-yloxy)ethylamino]-3-phenoxypropan-2-ol
CID 21291609
2-[4-[2-[[3-(2-fluorophenoxy)-2-hydroxypropyl]amino]ethoxy]phenoxy]acetic acid;hydrochloride
CID 54585701
2-[2-[3-(tert-butylamino)-2-hydroxypropoxy]phenoxy]acetamide
CID 10424650

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
The IUPAC name of 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide (CID 70440804) is 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide.
What is the SMILES notation for 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
The canonical SMILES for 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide is NC(=O)COc1ccccc1OCCNCC(O)COc1ccccc1.
What is the InChIKey of 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
The InChIKey is DUVGGJJNKYCGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O5/c20-19(23)14-26-18-9-5-4-8-17(18)24-11-10-21-12-15(22)13-25-16-6-2-1-3-7-16/h1-9,15,21-22H,10-14H2,(H2,20,23).
What are the key properties of 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide?
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide has a molecular weight of 360.41 g/mol, XLogP of 0.96, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide is sourced from PubChem (CID 70440804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).