[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

C18H23BrN2O4 — CID 2378571

IUPAC[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(Br)c1
InChIInChI=1S/C18H23BrN2O4/c1-12-7-8-15(14(19)9-12)21-16(22)11-25-17(23)10-20-18(24)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyBMHGZZADRUNCRG-UHFFFAOYSA-N
MW411.30 g/mol
LogP2.94
Rot. Bonds6

About [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate

[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (PubChem CID 2378571) has the molecular formula C18H23BrN2O4 and a molecular weight of 411.30 g/mol. Its IUPAC name is [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.

Molecular Properties

Compound Name[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
PubChem CID2378571
Molecular FormulaC18H23BrN2O4
Molecular Weight411.30 g/mol
Exact Mass410.08
IUPAC Name[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
SMILESCc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(Br)c1
InChIInChI=1S/C18H23BrN2O4/c1-12-7-8-15(14(19)9-12)21-16(22)11-25-17(23)10-20-18(24)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22)
InChIKeyBMHGZZADRUNCRG-UHFFFAOYSA-N
XLogP2.94
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.30
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-Dibromo-4-methylanilino)-2-oxoethyl] cyclohexanecarboxylate
CID 2342359
[2-(2,4-Dimethylanilino)-2-oxoethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2378436
[2-(2-Bromo-4-methylanilino)-2-oxoethyl] 2-[(3,5-dimethylbenzoyl)amino]acetate
CID 2385728
[2-(2-Bromo-4-methylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 2465861
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547225
(2-Anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
CID 2547365
[2-(3-Bromoanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2379229
[2-(3,5-Dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547360
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
CID 2100448
[2-(2-Bromo-4-methylanilino)-2-oxoethyl] cyclopropanecarboxylate
CID 2406801
[2-oxo-2-(N-propan-2-ylanilino)ethyl] 2-[(4-bromobenzoyl)amino]acetate
CID 2443235
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547383

Frequently Asked Questions

What is the IUPAC name of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The IUPAC name of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate (CID 2378571) is [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate.
What is the SMILES notation for [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The canonical SMILES for [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is Cc1ccc(NC(=O)COC(=O)CNC(=O)C2CCCCC2)c(Br)c1.
What is the InChIKey of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
The InChIKey is BMHGZZADRUNCRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23BrN2O4/c1-12-7-8-15(14(19)9-12)21-16(22)11-25-17(23)10-20-18(24)13-5-3-2-4-6-13/h7-9,13H,2-6,10-11H2,1H3,(H,20,24)(H,21,22).
What are the key properties of [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate?
[2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate has a molecular weight of 411.30 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-bromo-4-methylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate is sourced from PubChem (CID 2378571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).