2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide

C27H25NO4 — CID 142024369

IUPAC2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide
SMILESCOc1ccc2cc(COc3cccc(OCc4cccc(C)c4C(N)=O)c3)ccc2c1
InChIInChI=1S/C27H25NO4/c1-18-5-3-6-22(26(18)27(28)29)17-32-25-8-4-7-24(15-25)31-16-19-9-10-21-14-23(30-2)12-11-20(21)13-19/h3-15H,16-17H2,1-2H3,(H2,28,29)
InChIKeyURPOFOJDZQHAET-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.41
Rot. Bonds8

About 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide

2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide (PubChem CID 142024369) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide.

Molecular Properties

Compound Name2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide
PubChem CID142024369
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide
SMILESCOc1ccc2cc(COc3cccc(OCc4cccc(C)c4C(N)=O)c3)ccc2c1
InChIInChI=1S/C27H25NO4/c1-18-5-3-6-22(26(18)27(28)29)17-32-25-8-4-7-24(15-25)31-16-19-9-10-21-14-23(30-2)12-11-20(21)13-19/h3-15H,16-17H2,1-2H3,(H2,28,29)
InChIKeyURPOFOJDZQHAET-UHFFFAOYSA-N
XLogP5.41
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide?
The IUPAC name of 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide (CID 142024369) is 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide.
What is the SMILES notation for 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide?
The canonical SMILES for 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide is COc1ccc2cc(COc3cccc(OCc4cccc(C)c4C(N)=O)c3)ccc2c1.
What is the InChIKey of 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide?
The InChIKey is URPOFOJDZQHAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-18-5-3-6-22(26(18)27(28)29)17-32-25-8-4-7-24(15-25)31-16-19-9-10-21-14-23(30-2)12-11-20(21)13-19/h3-15H,16-17H2,1-2H3,(H2,28,29).
What are the key properties of 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide?
2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide has a molecular weight of 427.50 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(6-methoxynaphthalen-2-yl)methoxy]phenoxy]methyl]-6-methylbenzamide is sourced from PubChem (CID 142024369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).