[2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

C20H22N2O4 — CID 2477238

IUPAC[2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-14-9-15(2)11-16(10-14)20(25)21-12-19(24)26-13-18(23)22(3)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyGCCSSYSPUDYZFP-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.24
Rot. Bonds6

About [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate

[2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (PubChem CID 2477238) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
PubChem CID2477238
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC Name[2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
SMILESCc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)c1
InChIInChI=1S/C20H22N2O4/c1-14-9-15(2)11-16(10-14)20(25)21-12-19(24)26-13-18(23)22(3)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,21,25)
InChIKeyGCCSSYSPUDYZFP-UHFFFAOYSA-N
XLogP2.24
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The IUPAC name of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate (CID 2477238) is [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate.
What is the SMILES notation for [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The canonical SMILES for [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is Cc1cc(C)cc(C(=O)NCC(=O)OCC(=O)N(C)c2ccccc2)c1.
What is the InChIKey of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
The InChIKey is GCCSSYSPUDYZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-14-9-15(2)11-16(10-14)20(25)21-12-19(24)26-13-18(23)22(3)17-7-5-4-6-8-17/h4-11H,12-13H2,1-3H3,(H,21,25).
What are the key properties of [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate?
[2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate has a molecular weight of 354.41 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(N-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate is sourced from PubChem (CID 2477238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).