methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate

C16H23NO6 — CID 11529918

IUPACmethyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
SMILESCCc1c(O)cc(O)c(C(=O)N(C)CCOC)c1CC(=O)OC
InChIInChI=1S/C16H23NO6/c1-5-10-11(8-14(20)23-4)15(13(19)9-12(10)18)16(21)17(2)6-7-22-3/h9,18-19H,5-8H2,1-4H3
InChIKeyRUMQKYWYAIHSEN-UHFFFAOYSA-N
MW325.36 g/mol
LogP1.09
Rot. Bonds7

About methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate

methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate (PubChem CID 11529918) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
PubChem CID11529918
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Namemethyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate
SMILESCCc1c(O)cc(O)c(C(=O)N(C)CCOC)c1CC(=O)OC
InChIInChI=1S/C16H23NO6/c1-5-10-11(8-14(20)23-4)15(13(19)9-12(10)18)16(21)17(2)6-7-22-3/h9,18-19H,5-8H2,1-4H3
InChIKeyRUMQKYWYAIHSEN-UHFFFAOYSA-N
XLogP1.09
TPSA96.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(2-ethyl-3,5-dihydroxy-6-phenylphenyl)acetate
CID 87660795
N-ethoxy-2-[2-ethyl-3,5-dihydroxy-6-[4-(trifluoromethoxy)benzoyl]phenyl]-N-(2-methoxyethyl)acetamide
CID 175270384
2-[2-ethyl-3,5-dihydroxy-6-(4-propan-2-yloxybenzoyl)phenyl]-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 23116316
2-chloro-N-(2-methoxyethyl)-N-methyl-6-propylpyridine-4-carboxamide
CID 113379836
methyl 2-(2-hydroxy-4,6-dimethylphenyl)acetate
CID 131029302
5-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 63866551
methyl 3-[(2,6-dihydroxybenzoyl)-(2-methoxyethyl)amino]propanoate
CID 107689507
N-(2-methoxyethyl)-N-methyl-2-oxo-1H-pyridine-4-carboxamide
CID 103764343
2-methoxyethyl 3-(2-chloroethyl)-2,4-diethyl-6-hydroxybenzoate
CID 11771428
tris(3-hydroxy-N-(2-methoxyethyl)-N-methylpyridine-4-carboxamide);iron(3+)
CID 161269738
N-(2-methoxyethyl)-N,3,4-trimethylbenzamide
CID 130399829
methyl 2-(3,4-diethyl-2-hydroxyphenyl)acetate
CID 67691350

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate?
The IUPAC name of methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate (CID 11529918) is methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate.
What is the SMILES notation for methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate?
The canonical SMILES for methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate is CCc1c(O)cc(O)c(C(=O)N(C)CCOC)c1CC(=O)OC.
What is the InChIKey of methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate?
The InChIKey is RUMQKYWYAIHSEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO6/c1-5-10-11(8-14(20)23-4)15(13(19)9-12(10)18)16(21)17(2)6-7-22-3/h9,18-19H,5-8H2,1-4H3.
What are the key properties of methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate?
methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate has a molecular weight of 325.36 g/mol, XLogP of 1.09, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-ethyl-3,5-dihydroxy-6-[2-methoxyethyl(methyl)carbamoyl]phenyl]acetate is sourced from PubChem (CID 11529918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).