[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate

C21H24N2O7 — CID 9197884

IUPAC[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C21H24N2O7/c1-5-22-20(25)13-7-6-8-14(11-13)23-17(24)12-30-21(26)15-9-10-16(27-2)19(29-4)18(15)28-3/h6-11H,5,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyWHHYEGRAMWGTRM-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.26
Rot. Bonds9

About [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate (PubChem CID 9197884) has the molecular formula C21H24N2O7 and a molecular weight of 416.43 g/mol. Its IUPAC name is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate.

Molecular Properties

Compound Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
PubChem CID9197884
Molecular FormulaC21H24N2O7
Molecular Weight416.43 g/mol
Exact Mass416.16
IUPAC Name[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate
SMILESCCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)c1
InChIInChI=1S/C21H24N2O7/c1-5-22-20(25)13-7-6-8-14(11-13)23-17(24)12-30-21(26)15-9-10-16(27-2)19(29-4)18(15)28-3/h6-11H,5,12H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyWHHYEGRAMWGTRM-UHFFFAOYSA-N
XLogP2.26
TPSA112.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] benzoate
CID 17393277
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 4-methoxy-3-nitrobenzoate
CID 9290462
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-bromobenzoate
CID 9017331
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 9229077
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 3-methylbenzoate
CID 27893664
[2-(4-methoxyanilino)-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 2522313
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-benzylbenzoate
CID 40717948
[2-(4-carbamoylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 2503755
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] thiophene-3-carboxylate
CID 8645620
[2-[4-(butanoylamino)phenyl]-2-oxoethyl] 2,3,4-trimethoxybenzoate
CID 7433080
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 1-methylpyrrole-2-carboxylate
CID 8886696
[2-(3-bromo-4-methylanilino)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 7726160

Frequently Asked Questions

What is the IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The IUPAC name of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate (CID 9197884) is [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate.
What is the SMILES notation for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The canonical SMILES for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate is CCNC(=O)c1cccc(NC(=O)COC(=O)c2ccc(OC)c(OC)c2OC)c1.
What is the InChIKey of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate?
The InChIKey is WHHYEGRAMWGTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O7/c1-5-22-20(25)13-7-6-8-14(11-13)23-17(24)12-30-21(26)15-9-10-16(27-2)19(29-4)18(15)28-3/h6-11H,5,12H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate?
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate has a molecular weight of 416.43 g/mol, XLogP of 2.26, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2,3,4-trimethoxybenzoate is sourced from PubChem (CID 9197884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).