[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate

C19H19NO5 — CID 46641142

IUPAC[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESCc1ccc(C)c(C(=O)COC(=O)c2ccccc2OCC(N)=O)c1
InChIInChI=1S/C19H19NO5/c1-12-7-8-13(2)15(9-12)16(21)10-25-19(23)14-5-3-4-6-17(14)24-11-18(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)
InChIKeyDHKICSZDRPWDLT-UHFFFAOYSA-N
MW341.36 g/mol
LogP2.21
Rot. Bonds7

About [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate (PubChem CID 46641142) has the molecular formula C19H19NO5 and a molecular weight of 341.36 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
PubChem CID46641142
Molecular FormulaC19H19NO5
Molecular Weight341.36 g/mol
Exact Mass341.13
IUPAC Name[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
SMILESCc1ccc(C)c(C(=O)COC(=O)c2ccccc2OCC(N)=O)c1
InChIInChI=1S/C19H19NO5/c1-12-7-8-13(2)15(9-12)16(21)10-25-19(23)14-5-3-4-6-17(14)24-11-18(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22)
InChIKeyDHKICSZDRPWDLT-UHFFFAOYSA-N
XLogP2.21
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-bromobenzoate
CID 2565891
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2513375
[2-(2-bromophenyl)-2-oxoethyl] 2,5-dimethylbenzoate
CID 2345743
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 8894072
[2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 2,5-dimethylbenzoate
CID 2519588
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-chloropyridine-3-carboxylate
CID 2515362
2-(2-amino-2-oxoethoxy)-N-(2,5-dimethylphenyl)benzamide
CID 34795428
[2-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 38909308
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-methylbenzoate
CID 882281
1-(2,5-dimethylphenyl)-2-(2-methylsulfanylphenoxy)ethanone
CID 63647847
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 9274969
[2-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate
CID 46641118

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The IUPAC name of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate (CID 46641142) is [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate.
What is the SMILES notation for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The canonical SMILES for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate is Cc1ccc(C)c(C(=O)COC(=O)c2ccccc2OCC(N)=O)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
The InChIKey is DHKICSZDRPWDLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO5/c1-12-7-8-13(2)15(9-12)16(21)10-25-19(23)14-5-3-4-6-17(14)24-11-18(20)22/h3-9H,10-11H2,1-2H3,(H2,20,22).
What are the key properties of [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate?
[2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate has a molecular weight of 341.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)-2-oxoethyl] 2-(2-amino-2-oxoethoxy)benzoate is sourced from PubChem (CID 46641142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).