[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate

C18H19NO4 — CID 7588243

IUPAC[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO4/c1-13-4-3-5-16(10-13)19-17(20)12-23-18(21)15-8-6-14(7-9-15)11-22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyGCCONGVCNWVZHN-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.94
Rot. Bonds6

About [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate

[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate (PubChem CID 7588243) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Name[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
PubChem CID7588243
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1
InChIInChI=1S/C18H19NO4/c1-13-4-3-5-16(10-13)19-17(20)12-23-18(21)15-8-6-14(7-9-15)11-22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyGCCONGVCNWVZHN-UHFFFAOYSA-N
XLogP2.94
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 ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3-methylanilino)-2-oxoethyl] 4-(methylsulfonylmethyl)benzoate
CID 7753162
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7588571
[2-(3-methylanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 2628228
[2-(4-bromoanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488892
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 7488916
[2-[(9,10-dioxoanthracen-2-yl)amino]-2-oxoethyl] 4-(methoxymethyl)benzoate
CID 43024245
[2-(3-methylanilino)-2-oxoethyl] 4-[methoxy(methyl)sulfamoyl]benzoate
CID 8943342
[2-(3-methylanilino)-2-oxoethyl] 4-(difluoromethoxy)benzoate
CID 2612551
[2-(3-methylanilino)-2-oxoethyl] 3-amino-4-methoxybenzoate
CID 53269959
[2-(3-methylanilino)-2-oxoethyl] 4-(4-acetyloxyphenyl)benzoate
CID 7373696
[2-(3-methylanilino)-2-oxoethyl] 3-iodobenzoate
CID 2555783
[2-(3-methylanilino)-2-oxoethyl] 4-(2,5-dioxopyrrolidin-1-yl)benzoate
CID 7204319

Frequently Asked Questions

What is the IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
The IUPAC name of [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate (CID 7588243) is [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate.
What is the SMILES notation for [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
The canonical SMILES for [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)cc1.
What is the InChIKey of [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
The InChIKey is GCCONGVCNWVZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-4-3-5-16(10-13)19-17(20)12-23-18(21)15-8-6-14(7-9-15)11-22-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate?
[2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate has a molecular weight of 313.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-methylanilino)-2-oxoethyl] 4-(methoxymethyl)benzoate is sourced from PubChem (CID 7588243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).