2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

C17H25NO7 — CID 55356834

IUPAC2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCCOC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H25NO7/c1-11(2)24-6-7-25-15(19)10-18-17(20)12-8-13(21-3)16(23-5)14(9-12)22-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyZAZVEBIXYQBWIA-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.41
Rot. Bonds10

About 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate

2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (PubChem CID 55356834) has the molecular formula C17H25NO7 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
PubChem CID55356834
Molecular FormulaC17H25NO7
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
SMILESCOc1cc(C(=O)NCC(=O)OCCOC(C)C)cc(OC)c1OC
InChIInChI=1S/C17H25NO7/c1-11(2)24-6-7-25-15(19)10-18-17(20)12-8-13(21-3)16(23-5)14(9-12)22-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20)
InChIKeyZAZVEBIXYQBWIA-UHFFFAOYSA-N
XLogP1.41
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

[2-[[(2S)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899329
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899328
(3,3-dimethyl-2-oxobutyl) 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 40589265
naphthalen-1-ylmethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7899325
[2-(3,5-dimethylanilino)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 55320187
[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 5175769
propan-2-yl 4-[(3,4,5-trimethoxybenzoyl)amino]butanoate
CID 3092235
[2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 2998346
[2-(2,5-dimethylthiophen-3-yl)-2-oxoethyl] 2-[(3,4,5-trimethoxybenzoyl)amino]acetate
CID 7626414
N-[2-(2-ethylbutanoylamino)ethyl]-3,4,5-trimethoxybenzamide
CID 108538157
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
propyl 2-[(3,4-dimethoxybenzoyl)amino]acetate
CID 46526157

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The IUPAC name of 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate (CID 55356834) is 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate.
What is the SMILES notation for 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The canonical SMILES for 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is COc1cc(C(=O)NCC(=O)OCCOC(C)C)cc(OC)c1OC.
What is the InChIKey of 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
The InChIKey is ZAZVEBIXYQBWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO7/c1-11(2)24-6-7-25-15(19)10-18-17(20)12-8-13(21-3)16(23-5)14(9-12)22-4/h8-9,11H,6-7,10H2,1-5H3,(H,18,20).
What are the key properties of 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate?
2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate has a molecular weight of 355.39 g/mol, XLogP of 1.41, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yloxyethyl 2-[(3,4,5-trimethoxybenzoyl)amino]acetate is sourced from PubChem (CID 55356834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).