4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide

C15H23NO4 — CID 103957082

IUPAC4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
SMILESCOCCN(C(=O)c1ccc(O)c(C)c1)C(C)COC
InChIInChI=1S/C15H23NO4/c1-11-9-13(5-6-14(11)17)15(18)16(7-8-19-3)12(2)10-20-4/h5-6,9,12,17H,7-8,10H2,1-4H3
InChIKeyBYJIBNTWVQZSHP-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.82
Rot. Bonds7

About 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide

4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide (PubChem CID 103957082) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
PubChem CID103957082
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide
SMILESCOCCN(C(=O)c1ccc(O)c(C)c1)C(C)COC
InChIInChI=1S/C15H23NO4/c1-11-9-13(5-6-14(11)17)15(18)16(7-8-19-3)12(2)10-20-4/h5-6,9,12,17H,7-8,10H2,1-4H3
InChIKeyBYJIBNTWVQZSHP-UHFFFAOYSA-N
XLogP1.82
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
The IUPAC name of 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide (CID 103957082) is 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide.
What is the SMILES notation for 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
The canonical SMILES for 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide is COCCN(C(=O)c1ccc(O)c(C)c1)C(C)COC.
What is the InChIKey of 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
The InChIKey is BYJIBNTWVQZSHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-11-9-13(5-6-14(11)17)15(18)16(7-8-19-3)12(2)10-20-4/h5-6,9,12,17H,7-8,10H2,1-4H3.
What are the key properties of 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide?
4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide has a molecular weight of 281.35 g/mol, XLogP of 1.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(2-methoxyethyl)-N-(1-methoxypropan-2-yl)-3-methylbenzamide is sourced from PubChem (CID 103957082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).