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

C20H26N2O5 — CID 15174968

IUPAC2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(OCCNCC(O)COc2ccccc2)c1
InChIInChI=1S/C20H26N2O5/c1-21-20(24)15-27-19-9-5-8-18(12-19)25-11-10-22-13-16(23)14-26-17-6-3-2-4-7-17/h2-9,12,16,22-23H,10-11,13-15H2,1H3,(H,21,24)
InChIKeyQGEJFHCLNCUVHK-UHFFFAOYSA-N
MW374.44 g/mol
LogP1.22
Rot. Bonds12

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

2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide (PubChem CID 15174968) has the molecular formula C20H26N2O5 and a molecular weight of 374.44 g/mol. Its IUPAC name is 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
PubChem CID15174968
Molecular FormulaC20H26N2O5
Molecular Weight374.44 g/mol
Exact Mass374.18
IUPAC Name2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
SMILESCNC(=O)COc1cccc(OCCNCC(O)COc2ccccc2)c1
InChIInChI=1S/C20H26N2O5/c1-21-20(24)15-27-19-9-5-8-18(12-19)25-11-10-22-13-16(23)14-26-17-6-3-2-4-7-17/h2-9,12,16,22-23H,10-11,13-15H2,1H3,(H,21,24)
InChIKeyQGEJFHCLNCUVHK-UHFFFAOYSA-N
XLogP1.22
TPSA89.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 51.22
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-ethyl-2-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 15174918
methyl 2-[4-[2-[[(2R)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]phenoxy]acetate
CID 15034338
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
2-[2-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]acetamide
CID 70440804
3-[[2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]propyl 2-phenoxyacetate
CID 67677147
1-[4-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenyl]pentan-2-one
CID 23169489
methyl 5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-1-benzofuran-2-carboxylate
CID 67665235
2-[[3-(3-chlorophenoxy)-2-hydroxypropyl]amino]-N-methylacetamide
CID 60901406
1-[2-(2-methylpropoxy)ethylamino]-3-phenoxypropan-2-ol
CID 115585680
2-acetyl-5-[2-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]ethoxy]-1-benzofuran-3-one
CID 67693125
(2R)-1-[[(2S)-2-hydroxy-3-phenoxypropyl]amino]-3-phenoxypropan-2-ol
CID 7037801
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 13030875

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide?
The IUPAC name of 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide (CID 15174968) is 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide.
What is the SMILES notation for 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide?
The canonical SMILES for 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide is CNC(=O)COc1cccc(OCCNCC(O)COc2ccccc2)c1.
What is the InChIKey of 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide?
The InChIKey is QGEJFHCLNCUVHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O5/c1-21-20(24)15-27-19-9-5-8-18(12-19)25-11-10-22-13-16(23)14-26-17-6-3-2-4-7-17/h2-9,12,16,22-23H,10-11,13-15H2,1H3,(H,21,24).
What are the key properties of 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide?
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide has a molecular weight of 374.44 g/mol, XLogP of 1.22, 12 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide is sourced from PubChem (CID 15174968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).