[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate

C24H31N3O5 — CID 55328379

IUPAC[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate
SMILESCCNC(=O)NC(=O)C(OC(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2)c1ccccc1
InChIInChI=1S/C24H31N3O5/c1-3-25-22(31)26-20(29)19(18-7-5-4-6-8-18)32-21(30)23-10-16-9-17(11-23)13-24(12-16,14-23)27-15(2)28/h4-8,16-17,19H,3,9-14H2,1-2H3,(H,27,28)(H2,25,26,29,31)
InChIKeyAEFDKDSQFGIDDH-UHFFFAOYSA-N
MW441.53 g/mol
LogP2.59
Rot. Bonds6

About [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate

[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate (PubChem CID 55328379) has the molecular formula C24H31N3O5 and a molecular weight of 441.53 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate
PubChem CID55328379
Molecular FormulaC24H31N3O5
Molecular Weight441.53 g/mol
Exact Mass441.23
IUPAC Name[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate
SMILESCCNC(=O)NC(=O)C(OC(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2)c1ccccc1
InChIInChI=1S/C24H31N3O5/c1-3-25-22(31)26-20(29)19(18-7-5-4-6-8-18)32-21(30)23-10-16-9-17(11-23)13-24(12-16,14-23)27-15(2)28/h4-8,16-17,19H,3,9-14H2,1-2H3,(H,27,28)(H2,25,26,29,31)
InChIKeyAEFDKDSQFGIDDH-UHFFFAOYSA-N
XLogP2.59
TPSA113.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.53
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate with MolForge

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Related Compounds

(2-oxo-1,2-diphenylethyl) 3-acetamidoadamantane-1-carboxylate
CID 4028003
[(1R)-2-oxo-1,2-diphenylethyl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 25337929
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 55309702
[(2R)-1-(2-chloroanilino)-1-oxopropan-2-yl] (5S,7R)-3-acetamidoadamantane-1-carboxylate
CID 27361095
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] propanoate
CID 7851438
(2-anilino-2-oxo-1-phenylethyl) 3-hydroxyadamantane-1-carboxylate
CID 16575590
[(2R)-1-(benzylcarbamoylamino)-1-oxopropan-2-yl] (5S,7R)-3-hydroxyadamantane-1-carboxylate
CID 8947500
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 2-phenylacetate
CID 7875023
[(1S)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (1S)-cyclohex-3-ene-1-carboxylate
CID 7949091
1,3-benzothiazol-2-ylmethyl 3-acetamidoadamantane-1-carboxylate
CID 18164527
[(1R)-2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] (2R)-2-phenoxypropanoate
CID 7833786
[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl] 2-(1-adamantyl)acetate
CID 7695835

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate (CID 55328379) is [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate is CCNC(=O)NC(=O)C(OC(=O)C12CC3CC(CC(NC(C)=O)(C3)C1)C2)c1ccccc1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate?
The InChIKey is AEFDKDSQFGIDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O5/c1-3-25-22(31)26-20(29)19(18-7-5-4-6-8-18)32-21(30)23-10-16-9-17(11-23)13-24(12-16,14-23)27-15(2)28/h4-8,16-17,19H,3,9-14H2,1-2H3,(H,27,28)(H2,25,26,29,31).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate?
[2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate has a molecular weight of 441.53 g/mol, XLogP of 2.59, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxo-1-phenylethyl] 3-acetamidoadamantane-1-carboxylate is sourced from PubChem (CID 55328379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).