2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide

C25H27NO4 — CID 175139513

IUPAC2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1Oc1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C25H27NO4/c1-17-13-14-18(2)23(15-17)29-16-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)24(28-4)25(27)26-3/h5-15,24H,16H2,1-4H3,(H,26,27)
InChIKeyXLQCMVOUJQWPCC-UHFFFAOYSA-N
MW405.49 g/mol
LogP5.11
Rot. Bonds8

About 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide

2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide (PubChem CID 175139513) has the molecular formula C25H27NO4 and a molecular weight of 405.49 g/mol. Its IUPAC name is 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
PubChem CID175139513
Molecular FormulaC25H27NO4
Molecular Weight405.49 g/mol
Exact Mass405.19
IUPAC Name2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1Oc1ccccc1COc1cc(C)ccc1C
InChIInChI=1S/C25H27NO4/c1-17-13-14-18(2)23(15-17)29-16-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)24(28-4)25(27)26-3/h5-15,24H,16H2,1-4H3,(H,26,27)
InChIKeyXLQCMVOUJQWPCC-UHFFFAOYSA-N
XLogP5.11
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.49
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-N-methylbutanamide
CID 18357808
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-3-hydroxy-N-methylpropanamide
CID 67121861
2-[2-(3,5-dimethylphenoxy)phenyl]-2-methoxy-N-methylacetamide
CID 101177983
2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101178001
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfonylacetate
CID 18357810
2-methoxy-N-methyl-2-[2-[[2,4,5-tris(methylamino)phenoxy]methyl]phenyl]acetamide
CID 174772151
methyl 2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-methylsulfinylacetate
CID 18357827
2-chloro-2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 139703547
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-nitroacetic acid
CID 139703544
2-[2-[(2,4-dichlorophenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
CID 101177998
1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxy-3-methylurea
CID 21191814

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide?
The IUPAC name of 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide (CID 175139513) is 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide is CNC(=O)C(OC)c1ccccc1Oc1ccccc1COc1cc(C)ccc1C.
What is the InChIKey of 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide?
The InChIKey is XLQCMVOUJQWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27NO4/c1-17-13-14-18(2)23(15-17)29-16-19-9-5-7-11-21(19)30-22-12-8-6-10-20(22)24(28-4)25(27)26-3/h5-15,24H,16H2,1-4H3,(H,26,27).
What are the key properties of 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide?
2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide has a molecular weight of 405.49 g/mol, XLogP of 5.11, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2,5-dimethylphenoxy)methyl]phenoxy]phenyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 175139513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).