[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate

C19H20N2O7 — CID 7395034

IUPAC[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C19H20N2O7/c1-25-14-9-16(27-3)15(26-2)8-12(14)19(24)28-10-17(22)21-13-7-5-4-6-11(13)18(20)23/h4-9H,10H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyIWSKEJNYWXRFDQ-UHFFFAOYSA-N
MW388.38 g/mol
LogP1.61
Rot. Bonds8

About [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate

[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate (PubChem CID 7395034) has the molecular formula C19H20N2O7 and a molecular weight of 388.38 g/mol. Its IUPAC name is [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate.

Molecular Properties

Compound Name[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
PubChem CID7395034
Molecular FormulaC19H20N2O7
Molecular Weight388.38 g/mol
Exact Mass388.13
IUPAC Name[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
SMILESCOc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(N)=O)cc1OC
InChIInChI=1S/C19H20N2O7/c1-25-14-9-16(27-3)15(26-2)8-12(14)19(24)28-10-17(22)21-13-7-5-4-6-11(13)18(20)23/h4-9H,10H2,1-3H3,(H2,20,23)(H,21,22)
InChIKeyIWSKEJNYWXRFDQ-UHFFFAOYSA-N
XLogP1.61
TPSA126.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[2-(2-fluoroanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566490
[2-oxo-2-(2-propan-2-ylanilino)ethyl] 2,4,5-trimethoxybenzoate
CID 2566413
[2-(2-carbamoylanilino)-2-oxoethyl] 2-hydroxybenzoate
CID 7890744
[2-(4-acetamidoanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566522
[2-(2-benzoylanilino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 7766787
[2-(2-carbamoylanilino)-2-oxoethyl] 8-methoxy-2-oxochromene-3-carboxylate
CID 23964198
[2-(2-carbamoylanilino)-2-oxoethyl] 2,5-dimethylfuran-3-carboxylate
CID 7844551
[2-(2-fluoroanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2570793
[2-(2-bromoanilino)-2-oxoethyl] 4-amino-5-chloro-2-methoxybenzoate
CID 2385710
methyl 2-[[2-[2-(3,4-dimethoxyphenyl)acetyl]oxyacetyl]amino]benzoate
CID 7766660
[2-(3,5-dimethylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate
CID 2566389
methyl 3-(2-carbamoylanilino)-3-oxopropanoate
CID 25049818

Frequently Asked Questions

What is the IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The IUPAC name of [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate (CID 7395034) is [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate.
What is the SMILES notation for [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The canonical SMILES for [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate is COc1cc(OC)c(C(=O)OCC(=O)Nc2ccccc2C(N)=O)cc1OC.
What is the InChIKey of [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
The InChIKey is IWSKEJNYWXRFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O7/c1-25-14-9-16(27-3)15(26-2)8-12(14)19(24)28-10-17(22)21-13-7-5-4-6-11(13)18(20)23/h4-9H,10H2,1-3H3,(H2,20,23)(H,21,22).
What are the key properties of [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate?
[2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate has a molecular weight of 388.38 g/mol, XLogP of 1.61, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-carbamoylanilino)-2-oxoethyl] 2,4,5-trimethoxybenzoate is sourced from PubChem (CID 7395034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).