[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate

C18H18N2O6 — CID 30799809

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H18N2O6/c1-24-13-7-8-15(25-2)14(9-13)20-16(21)10-26-18(23)12-5-3-11(4-6-12)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyVSHRUGBMMDSRKO-UHFFFAOYSA-N
MW358.35 g/mol
LogP1.60
Rot. Bonds7

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate (PubChem CID 30799809) has the molecular formula C18H18N2O6 and a molecular weight of 358.35 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
PubChem CID30799809
Molecular FormulaC18H18N2O6
Molecular Weight358.35 g/mol
Exact Mass358.12
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H18N2O6/c1-24-13-7-8-15(25-2)14(9-13)20-16(21)10-26-18(23)12-5-3-11(4-6-12)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21)
InChIKeyVSHRUGBMMDSRKO-UHFFFAOYSA-N
XLogP1.60
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.35
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 2489330
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2632423
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859587
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate
CID 4856785
[2-(2,4-dimethoxyanilino)-2-oxoethyl] 4-phenoxybenzoate
CID 7838043
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2-[(4-methoxybenzoyl)amino]acetate
CID 2355966
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
[2-(2-methoxy-5-methylanilino)-2-oxoethyl] 4-methoxy-2-methylbenzoate
CID 46924944

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate (CID 30799809) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate is COc1ccc(OC)c(NC(=O)COC(=O)c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate?
The InChIKey is VSHRUGBMMDSRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O6/c1-24-13-7-8-15(25-2)14(9-13)20-16(21)10-26-18(23)12-5-3-11(4-6-12)17(19)22/h3-9H,10H2,1-2H3,(H2,19,22)(H,20,21).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate has a molecular weight of 358.35 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate is sourced from PubChem (CID 30799809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).