2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide

C19H23NO3 — CID 101178001

IUPAC2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1COc1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO3/c1-13-9-10-16(11-14(13)2)23-12-15-7-5-6-8-17(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21)
InChIKeyWPPSKTVKTKPOTA-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.32
Rot. Bonds6

About 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide

2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide (PubChem CID 101178001) has the molecular formula C19H23NO3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
PubChem CID101178001
Molecular FormulaC19H23NO3
Molecular Weight313.40 g/mol
Exact Mass313.17
IUPAC Name2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide
SMILESCNC(=O)C(OC)c1ccccc1COc1ccc(C)c(C)c1
InChIInChI=1S/C19H23NO3/c1-13-9-10-16(11-14(13)2)23-12-15-7-5-6-8-17(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21)
InChIKeyWPPSKTVKTKPOTA-UHFFFAOYSA-N
XLogP3.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
The IUPAC name of 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide (CID 101178001) is 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide.
What is the SMILES notation for 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
The canonical SMILES for 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide is CNC(=O)C(OC)c1ccccc1COc1ccc(C)c(C)c1.
What is the InChIKey of 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
The InChIKey is WPPSKTVKTKPOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO3/c1-13-9-10-16(11-14(13)2)23-12-15-7-5-6-8-17(15)18(22-4)19(21)20-3/h5-11,18H,12H2,1-4H3,(H,20,21).
What are the key properties of 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide?
2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide has a molecular weight of 313.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dimethylphenoxy)methyl]phenyl]-2-methoxy-N-methylacetamide is sourced from PubChem (CID 101178001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).