2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide

C24H33N3O7 — CID 12841766

IUPAC2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide
SMILESCNC(=O)COc1ccccc1OCC(O)CNCCNC(=O)Cc1cccc(OC)c1OC
InChIInChI=1S/C24H33N3O7/c1-25-23(30)16-34-20-9-5-4-8-19(20)33-15-18(28)14-26-11-12-27-22(29)13-17-7-6-10-21(31-2)24(17)32-3/h4-10,18,26,28H,11-16H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyNUUBOHJWVGYCAJ-UHFFFAOYSA-N
MW475.54 g/mol
LogP0.52
Rot. Bonds15

About 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide

2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide (PubChem CID 12841766) has the molecular formula C24H33N3O7 and a molecular weight of 475.54 g/mol. Its IUPAC name is 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide
PubChem CID12841766
Molecular FormulaC24H33N3O7
Molecular Weight475.54 g/mol
Exact Mass475.23
IUPAC Name2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide
SMILESCNC(=O)COc1ccccc1OCC(O)CNCCNC(=O)Cc1cccc(OC)c1OC
InChIInChI=1S/C24H33N3O7/c1-25-23(30)16-34-20-9-5-4-8-19(20)33-15-18(28)14-26-11-12-27-22(29)13-17-7-6-10-21(31-2)24(17)32-3/h4-10,18,26,28H,11-16H2,1-3H3,(H,25,30)(H,27,29)
InChIKeyNUUBOHJWVGYCAJ-UHFFFAOYSA-N
XLogP0.52
TPSA127.38 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.54
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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
2-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-N-methylacetamide
CID 60901229
2-[2-methoxy-6-(propylaminomethyl)phenoxy]-N-methylacetamide
CID 43472013
2-[2-[(2-hydroxypropylamino)methyl]phenoxy]-N-methylacetamide
CID 47397786
(2R)-3-[(2,3-dimethoxyphenyl)methylamino]propane-1,2-diol
CID 96915436
2-(2-chlorophenyl)-N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]acetamide
CID 13030863
N-(3-hydroxypentyl)-2-(2-methoxyphenoxy)acetamide
CID 115703728
2-(2-formyl-6-methoxyphenoxy)-N-methylacetamide
CID 43471368
N-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethyl]-2-phenoxyacetamide;oxalic acid
CID 13030874
2-[3-[2-[(2-hydroxy-3-phenoxypropyl)amino]ethoxy]phenoxy]-N-methylacetamide
CID 15174968
N'-[2-(2-methoxyphenoxy)acetyl]-2-naphthalen-1-ylacetohydrazide
CID 3480178
4-[[2-hydroxy-3-(2-methoxyphenoxy)propyl]amino]-1-methoxybutan-2-ol
CID 106246755

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide?
The IUPAC name of 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide (CID 12841766) is 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide?
The canonical SMILES for 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide is CNC(=O)COc1ccccc1OCC(O)CNCCNC(=O)Cc1cccc(OC)c1OC.
What is the InChIKey of 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide?
The InChIKey is NUUBOHJWVGYCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O7/c1-25-23(30)16-34-20-9-5-4-8-19(20)33-15-18(28)14-26-11-12-27-22(29)13-17-7-6-10-21(31-2)24(17)32-3/h4-10,18,26,28H,11-16H2,1-3H3,(H,25,30)(H,27,29).
What are the key properties of 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide?
2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide has a molecular weight of 475.54 g/mol, XLogP of 0.52, 15 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethoxyphenyl)-N-[2-[[2-hydroxy-3-[2-[2-(methylamino)-2-oxoethoxy]phenoxy]propyl]amino]ethyl]acetamide is sourced from PubChem (CID 12841766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).