[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate

C21H26N2O5 — CID 4543424

IUPAC[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C21H26N2O5/c1-13(24)22-16-2-4-17(5-3-16)23-18(25)11-28-19(26)20-7-14-6-15(8-20)10-21(27,9-14)12-20/h2-5,14-15,27H,6-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyYLXZOJWTLOOFNB-UHFFFAOYSA-N
MW386.45 g/mol
LogP2.46
Rot. Bonds5

About [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate

[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 4543424) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
PubChem CID4543424
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Name[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
SMILESCC(=O)Nc1ccc(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C21H26N2O5/c1-13(24)22-16-2-4-17(5-3-16)23-18(25)11-28-19(26)20-7-14-6-15(8-20)10-21(27,9-14)12-20/h2-5,14-15,27H,6-12H2,1H3,(H,22,24)(H,23,25)
InChIKeyYLXZOJWTLOOFNB-UHFFFAOYSA-N
XLogP2.46
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate 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-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 3894790
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-(3,4-dimethylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470768
[2-(3,5-dimethoxyanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4572658
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7831699
[2-(3-chloro-4-methoxyanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4843730
[2-(3-methoxyanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470795
[2-(3-chloroanilino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98306321
[2-(4-methoxyanilino)-2-oxoethyl] (5S,7R)-3-bromoadamantane-1-carboxylate
CID 7415160
[2-(4-iodoanilino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CID 98590609
[2-(4-bromoanilino)-2-oxoethyl] (5R,7R)-3-chloroadamantane-1-carboxylate
CID 98288431
[2-(2,4-dichloroanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7471302

Frequently Asked Questions

What is the IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate (CID 4543424) is [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate is CC(=O)Nc1ccc(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is YLXZOJWTLOOFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-13(24)22-16-2-4-17(5-3-16)23-18(25)11-28-19(26)20-7-14-6-15(8-20)10-21(27,9-14)12-20/h2-5,14-15,27H,6-12H2,1H3,(H,22,24)(H,23,25).
What are the key properties of [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 2.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 4543424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).