[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

C22H26N2O6 — CID 8885391

IUPAC[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)NC)c2)cc1OCC
InChIInChI=1S/C22H26N2O6/c1-4-11-29-18-10-9-16(13-19(18)28-5-2)22(27)30-14-20(25)24-17-8-6-7-15(12-17)21(26)23-3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyXWONALMPUQZNSI-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.03
Rot. Bonds10

About [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate

[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (PubChem CID 8885391) has the molecular formula C22H26N2O6 and a molecular weight of 414.46 g/mol. Its IUPAC name is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.

Molecular Properties

Compound Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
PubChem CID8885391
Molecular FormulaC22H26N2O6
Molecular Weight414.46 g/mol
Exact Mass414.18
IUPAC Name[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
SMILESCCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)NC)c2)cc1OCC
InChIInChI=1S/C22H26N2O6/c1-4-11-29-18-10-9-16(13-19(18)28-5-2)22(27)30-14-20(25)24-17-8-6-7-15(12-17)21(26)23-3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,23,26)(H,24,25)
InChIKeyXWONALMPUQZNSI-UHFFFAOYSA-N
XLogP3.03
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate with MolForge

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Related Compounds

[2-(3-acetylanilino)-2-oxoethyl] 4-butoxy-3-ethoxybenzoate
CID 7904218
[2-(3-acetylanilino)-2-oxoethyl] 3,4-diethoxybenzoate
CID 2561869
[2-(3,5-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 42371527
[2-(2,6-difluoroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556805
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxy-4-prop-2-enoxybenzoate
CID 33258058
[2-(methylamino)-2-oxoethyl] 3,4-dipropoxybenzoate
CID 8537066
[2-(3-chloroanilino)-2-oxoethyl] 3-methoxy-4-propoxybenzoate
CID 2600330
[2-(2-ethylanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 30388748
[2-(3-acetamidoanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 7416051
[2-(4-nitroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 7556829
[2-(2,3-dichloroanilino)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate
CID 29316134
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-methoxybenzoate
CID 17396359

Frequently Asked Questions

What is the IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The IUPAC name of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate (CID 8885391) is [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate.
What is the SMILES notation for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The canonical SMILES for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is CCCOc1ccc(C(=O)OCC(=O)Nc2cccc(C(=O)NC)c2)cc1OCC.
What is the InChIKey of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
The InChIKey is XWONALMPUQZNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O6/c1-4-11-29-18-10-9-16(13-19(18)28-5-2)22(27)30-14-20(25)24-17-8-6-7-15(12-17)21(26)23-3/h6-10,12-13H,4-5,11,14H2,1-3H3,(H,23,26)(H,24,25).
What are the key properties of [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate?
[2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate has a molecular weight of 414.46 g/mol, XLogP of 3.03, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(methylcarbamoyl)anilino]-2-oxoethyl] 3-ethoxy-4-propoxybenzoate is sourced from PubChem (CID 8885391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).