[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate

C16H21NO6 — CID 8534636

IUPAC[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H21NO6/c1-11(18)12-4-5-14(22-3)13(8-12)9-16(20)23-10-15(19)17-6-7-21-2/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyYKHKGDQLUZKXAO-UHFFFAOYSA-N
MW323.35 g/mol
LogP0.75
Rot. Bonds9

About [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate

[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate (PubChem CID 8534636) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
PubChem CID8534636
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
SMILESCOCCNC(=O)COC(=O)Cc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H21NO6/c1-11(18)12-4-5-14(22-3)13(8-12)9-16(20)23-10-15(19)17-6-7-21-2/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,19)
InChIKeyYKHKGDQLUZKXAO-UHFFFAOYSA-N
XLogP0.75
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535069
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8535353
2-(5-acetyl-2-methoxyphenyl)-N-(3-aminopropyl)acetamide
CID 119404836
[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534486
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667128
[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534474
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 2573383
2-(5-acetyl-2-methoxyphenyl)-N-pentylacetamide
CID 78791662
2-(5-acetyl-2-methoxyphenyl)-N-(3-ethoxypropyl)acetamide
CID 78789004
[2-(4-chloro-2-methylanilino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate
CID 8534424
[2-(2-methoxyethylamino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 61485706
2-(5-acetyl-2-methoxyphenyl)-N-[3-(methylamino)propyl]acetamide;hydrochloride
CID 119429487

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The IUPAC name of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate (CID 8534636) is [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate.
What is the SMILES notation for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The canonical SMILES for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate is COCCNC(=O)COC(=O)Cc1cc(C(C)=O)ccc1OC.
What is the InChIKey of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?
The InChIKey is YKHKGDQLUZKXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-11(18)12-4-5-14(22-3)13(8-12)9-16(20)23-10-15(19)17-6-7-21-2/h4-5,8H,6-7,9-10H2,1-3H3,(H,17,19).
What are the key properties of [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate?
[2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate has a molecular weight of 323.35 g/mol, XLogP of 0.75, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxyethylamino)-2-oxoethyl] 2-(5-acetyl-2-methoxyphenyl)acetate is sourced from PubChem (CID 8534636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).