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

C20H24N2O5 — CID 3894790

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C20H24N2O5/c21-17(24)14-1-3-15(4-2-14)22-16(23)10-27-18(25)19-6-12-5-13(7-19)9-20(26,8-12)11-19/h1-4,12-13,26H,5-11H2,(H2,21,24)(H,22,23)
InChIKeyCVUXUEKXIUELKB-UHFFFAOYSA-N
MW372.42 g/mol
LogP1.60
Rot. Bonds5

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

[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate (PubChem CID 3894790) has the molecular formula C20H24N2O5 and a molecular weight of 372.42 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
PubChem CID3894790
Molecular FormulaC20H24N2O5
Molecular Weight372.42 g/mol
Exact Mass372.17
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)cc1
InChIInChI=1S/C20H24N2O5/c21-17(24)14-1-3-15(4-2-14)22-16(23)10-27-18(25)19-6-12-5-13(7-19)9-20(26,8-12)11-19/h1-4,12-13,26H,5-11H2,(H2,21,24)(H,22,23)
InChIKeyCVUXUEKXIUELKB-UHFFFAOYSA-N
XLogP1.60
TPSA118.72 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4-acetamidoanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 4543424
[2-(3,4-dimethylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470768
[2-(3-chloroanilino)-2-oxoethyl] (5R,7R)-3-hydroxyadamantane-1-carboxylate
CID 98306321
[2-(3-methoxyanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7470795
[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
dimethyl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]benzene-1,4-dicarboxylate
CID 3000178
[2-(5-methoxycarbonyl-2-methylanilino)-2-oxoethyl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 7458908
[2-(4-iodoanilino)-2-oxoethyl] (5S,7S)-3-bromoadamantane-1-carboxylate
CID 98590609
[2-(4-acetamidoanilino)-2-oxoethyl] adamantane-1-carboxylate
CID 4877219
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate (CID 3894790) is [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate is NC(=O)c1ccc(NC(=O)COC(=O)C23CC4CC(CC(O)(C4)C2)C3)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
The InChIKey is CVUXUEKXIUELKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O5/c21-17(24)14-1-3-15(4-2-14)22-16(23)10-27-18(25)19-6-12-5-13(7-19)9-20(26,8-12)11-19/h1-4,12-13,26H,5-11H2,(H2,21,24)(H,22,23).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate?
[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate has a molecular weight of 372.42 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate is sourced from PubChem (CID 3894790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).