N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide

C18H21NO4 — CID 2812188

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4/c1-13-3-5-14(6-4-13)18(21)19-11-15(20)12-23-17-9-7-16(22-2)8-10-17/h3-10,15,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyGYGBEBRBEMQNEZ-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.17
Rot. Bonds7

About N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide (PubChem CID 2812188) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide
PubChem CID2812188
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C18H21NO4/c1-13-3-5-14(6-4-13)18(21)19-11-15(20)12-23-17-9-7-16(22-2)8-10-17/h3-10,15,20H,11-12H2,1-2H3,(H,19,21)
InChIKeyGYGBEBRBEMQNEZ-UHFFFAOYSA-N
XLogP2.17
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide (CID 2812188) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide is COc1ccc(OCC(O)CNC(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide?
The InChIKey is GYGBEBRBEMQNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-13-3-5-14(6-4-13)18(21)19-11-15(20)12-23-17-9-7-16(22-2)8-10-17/h3-10,15,20H,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide has a molecular weight of 315.37 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-4-methylbenzamide is sourced from PubChem (CID 2812188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).