2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide

C18H21NO4 — CID 31284888

IUPAC2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H21NO4/c1-13-4-9-17(20)16(12-13)18(21)19(2)10-11-23-15-7-5-14(22-3)6-8-15/h4-9,12,20H,10-11H2,1-3H3
InChIKeyDMAKXTQBZHRWDJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.86
Rot. Bonds6

About 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide

2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide (PubChem CID 31284888) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide.

Molecular Properties

Compound Name2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
PubChem CID31284888
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Name2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide
SMILESCOc1ccc(OCCN(C)C(=O)c2cc(C)ccc2O)cc1
InChIInChI=1S/C18H21NO4/c1-13-4-9-17(20)16(12-13)18(21)19(2)10-11-23-15-7-5-14(22-3)6-8-15/h4-9,12,20H,10-11H2,1-3H3
InChIKeyDMAKXTQBZHRWDJ-UHFFFAOYSA-N
XLogP2.86
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide?
The IUPAC name of 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide (CID 31284888) is 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide.
What is the SMILES notation for 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide?
The canonical SMILES for 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide is COc1ccc(OCCN(C)C(=O)c2cc(C)ccc2O)cc1.
What is the InChIKey of 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide?
The InChIKey is DMAKXTQBZHRWDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-4-9-17(20)16(12-13)18(21)19(2)10-11-23-15-7-5-14(22-3)6-8-15/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide?
2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[2-(4-methoxyphenoxy)ethyl]-N,5-dimethylbenzamide is sourced from PubChem (CID 31284888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).