[2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C18H24N2O5 — CID 2100449

IUPAC[2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-24-15-9-7-14(8-10-15)20-16(21)12-25-17(22)11-19-18(23)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyAHRMQJSGMIPRHA-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.87
Rot. Bonds7

About [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2100449) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2100449
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Name[2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCOc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O5/c1-24-15-9-7-14(8-10-15)20-16(21)12-25-17(22)11-19-18(23)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,21)
InChIKeyAHRMQJSGMIPRHA-UHFFFAOYSA-N
XLogP1.87
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-N-(4-methoxyphenyl)acetamide
CID 880925
Succinamide peptidomimetic, 12
CID 11156785
Succinamide peptidomimetic, 9
CID 11225780
Succinamide peptidomimetic, 20
CID 11329727
Succinamide peptidomimetic, 8
CID 11397590
Succinamide peptidomimetic, 10
CID 11398171
Succinamide peptidomimetic, 11
CID 11466677
Arylaminoethyl carbamate, 11
CID 23648373
Arylaminoethyl carbamate, 12
CID 23648374
Arylaminoethyl carbamate, 13
CID 23648375
Arylaminoethyl amide deriv. 21
CID 23648394
Arylaminoethyl amide deriv. 22
CID 23648395

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2100449) is [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is COc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)cc1.
What is the InChIKey of [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is AHRMQJSGMIPRHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-24-15-9-7-14(8-10-15)20-16(21)12-25-17(22)11-19-18(23)13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,23)(H,20,21).
What are the key properties of [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 348.40 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2100449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).