2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide

C18H19NO4 — CID 47014341

IUPAC2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H19NO4/c1-11-4-5-12(2)15(8-11)16(20)10-23-17-9-13(22-3)6-7-14(17)18(19)21/h4-9H,10H2,1-3H3,(H2,19,21)
InChIKeyHIYDPBGWOVWPFH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.67
Rot. Bonds6

About 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide

2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide (PubChem CID 47014341) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide.

Molecular Properties

Compound Name2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
PubChem CID47014341
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide
SMILESCOc1ccc(C(N)=O)c(OCC(=O)c2cc(C)ccc2C)c1
InChIInChI=1S/C18H19NO4/c1-11-4-5-12(2)15(8-11)16(20)10-23-17-9-13(22-3)6-7-14(17)18(19)21/h4-9H,10H2,1-3H3,(H2,19,21)
InChIKeyHIYDPBGWOVWPFH-UHFFFAOYSA-N
XLogP2.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-dimethylphenyl)-2-(4-methylphenoxy)ethanone
CID 43413063
2-[2-[(2,4-dimethylphenyl)methyl-methylamino]-2-oxoethoxy]-4-methoxybenzamide
CID 47014357
4-methoxy-2-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]benzamide
CID 18085837
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085795
[2-(2,5-dimethylphenyl)-2-oxoethyl] 3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 4281561
4-methoxy-2-[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethoxy]benzamide
CID 18143075
2-(2,5-dimethylphenoxy)-1-(2,4-dimethylphenyl)ethanone
CID 43412276
2-methoxy-1-(5-methoxy-2-methylphenyl)ethanone
CID 19880580
2-(4-bromophenoxy)-1-(2,5-dimethylphenyl)ethanone
CID 55027185
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 3-(2,5-dimethylphenoxy)propanoate
CID 7856465
1-(2,5-dimethylphenyl)-2-(2-methoxy-5-nitrophenoxy)ethanone
CID 40602594
1-(2,5-dimethylphenyl)-2-(4-methoxyphenyl)ethanone
CID 43337271

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide?
The IUPAC name of 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide (CID 47014341) is 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide.
What is the SMILES notation for 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide?
The canonical SMILES for 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide is COc1ccc(C(N)=O)c(OCC(=O)c2cc(C)ccc2C)c1.
What is the InChIKey of 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide?
The InChIKey is HIYDPBGWOVWPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-11-4-5-12(2)15(8-11)16(20)10-23-17-9-13(22-3)6-7-14(17)18(19)21/h4-9H,10H2,1-3H3,(H2,19,21).
What are the key properties of 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide?
2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide has a molecular weight of 313.35 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-dimethylphenyl)-2-oxoethoxy]-4-methoxybenzamide is sourced from PubChem (CID 47014341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).