[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate

C18H19NO4 — CID 71822838

IUPAC[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
SMILESCOc1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C18H19NO4/c1-13-5-3-6-14(9-13)10-18(21)23-12-17(20)19-15-7-4-8-16(11-15)22-2/h3-9,11H,10,12H2,1-2H3,(H,19,20)
InChIKeyOOTLTZRNFKTVHX-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.73
Rot. Bonds6

About [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate

[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate (PubChem CID 71822838) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate.

Molecular Properties

Compound Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
PubChem CID71822838
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
SMILESCOc1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1
InChIInChI=1S/C18H19NO4/c1-13-5-3-6-14(9-13)10-18(21)23-12-17(20)19-15-7-4-8-16(11-15)22-2/h3-9,11H,10,12H2,1-2H3,(H,19,20)
InChIKeyOOTLTZRNFKTVHX-UHFFFAOYSA-N
XLogP2.73
TPSA64.63 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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,5-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840224
[2-(3-chloroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840241
[2-(3-acetylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822799
[2-(4-fluoroanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840231
[2-(3,4-dimethylanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate
CID 71822771
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792811
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(2-phenylacetyl)amino]acetate
CID 8523970
[2-(3-methoxyanilino)-2-oxoethyl] 2-(4-methylphenoxy)acetate
CID 35778947
[2-oxo-2-(4-propan-2-ylanilino)ethyl] 2-(3-methylphenyl)acetate
CID 71822824
[2-(3-methoxyanilino)-2-oxoethyl] 2-[(3-methylphenyl)methoxy]benzoate
CID 7771223
[2-(2,6-diethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 7840226
[2-(2,3-dimethylanilino)-2-oxoethyl] 2-(3-methoxyphenyl)acetate
CID 8792790

Frequently Asked Questions

What is the IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The IUPAC name of [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate (CID 71822838) is [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate.
What is the SMILES notation for [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The canonical SMILES for [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate is COc1cccc(NC(=O)COC(=O)Cc2cccc(C)c2)c1.
What is the InChIKey of [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
The InChIKey is OOTLTZRNFKTVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-5-3-6-14(9-13)10-18(21)23-12-17(20)19-15-7-4-8-16(11-15)22-2/h3-9,11H,10,12H2,1-2H3,(H,19,20).
What are the key properties of [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate?
[2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate has a molecular weight of 313.35 g/mol, XLogP of 2.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methoxyanilino)-2-oxoethyl] 2-(3-methylphenyl)acetate is sourced from PubChem (CID 71822838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).