(2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate

C21H26N2O4 — CID 5152125

IUPAC(2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C21H26N2O4/c24-18(23-17-4-2-1-3-5-17)13-27-19(25)12-22-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16H,6-13H2,(H,22,26)(H,23,24)
InChIKeyRLUBXGLPZZSXAB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.50
Rot. Bonds6

About (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate

(2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate (PubChem CID 5152125) has the molecular formula C21H26N2O4 and a molecular weight of 370.45 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate
PubChem CID5152125
Molecular FormulaC21H26N2O4
Molecular Weight370.45 g/mol
Exact Mass370.19
IUPAC Name(2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate
SMILESO=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1
InChIInChI=1S/C21H26N2O4/c24-18(23-17-4-2-1-3-5-17)13-27-19(25)12-22-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16H,6-13H2,(H,22,26)(H,23,24)
InChIKeyRLUBXGLPZZSXAB-UHFFFAOYSA-N
XLogP2.50
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-Anilino-2-oxoethyl) 3-chloroadamantane-1-carboxylate
CID 4620225
[1-Oxo-1-(4-sulfamoylanilino)propan-2-yl] 2-(adamantane-1-carbonylamino)acetate
CID 4029771
2-(2-Fluoroanilino)-2-oxoethyl 1-adamantanecarboxylate
CID 5008790
[2-(3-Fluoroanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547225
(2-Anilino-2-oxoethyl) 2-(cyclohexanecarbonylamino)acetate
CID 2547365
[1-(4-Acetamidoanilino)-1-oxopropan-2-yl] 3-chloroadamantane-1-carboxylate
CID 3974460
[2-(3,5-Dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547360
[2-Oxo-2-(4-sulfamoylanilino)ethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3951466
2-[[Cyclohexyl(oxo)methyl]amino]acetic acid [2-(4-cyanoanilino)-2-oxoethyl] ester
CID 2100448
[2-(2,6-Dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547322
[2-(2,5-Dimethylanilino)-2-oxoethyl] 2-(cyclohexanecarbonylamino)acetate
CID 2547383
2-(adamantanylcarbonylamino)-3-phenyl-N-phenylpropanamide
CID 2982669

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate (CID 5152125) is (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate is O=C(COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is RLUBXGLPZZSXAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4/c24-18(23-17-4-2-1-3-5-17)13-27-19(25)12-22-20(26)21-9-14-6-15(10-21)8-16(7-14)11-21/h1-5,14-16H,6-13H2,(H,22,26)(H,23,24).
What are the key properties of (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate?
(2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 370.45 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 5152125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).