[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C22H27N3O5 — CID 7190927

IUPAC[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H27N3O5/c23-20(28)16-1-3-17(4-2-16)25-18(26)12-30-19(27)11-24-21(29)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-15H,5-12H2,(H2,23,28)(H,24,29)(H,25,26)
InChIKeyNGQOSBDMZBSRSZ-UHFFFAOYSA-N
MW413.47 g/mol
LogP1.60
Rot. Bonds7

About [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190927) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190927
Molecular FormulaC22H27N3O5
Molecular Weight413.47 g/mol
Exact Mass413.20
IUPAC Name[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESNC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C22H27N3O5/c23-20(28)16-1-3-17(4-2-16)25-18(26)12-30-19(27)11-24-21(29)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-15H,5-12H2,(H2,23,28)(H,24,29)(H,25,26)
InChIKeyNGQOSBDMZBSRSZ-UHFFFAOYSA-N
XLogP1.60
TPSA127.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.47
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-(4-carbamoylanilino)-2-oxoethyl] 3-hydroxyadamantane-1-carboxylate
CID 3894790
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3689491
[2-(4-ethylanilino)-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7251677
[2-(2-chloro-4-fluoroanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3971040
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190589
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
[2-[4-(dimethylamino)anilino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7603650
[2-(furan-2-ylmethylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190863
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
[2-(methylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3258718

Frequently Asked Questions

What is the IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 7190927) is [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is NC(=O)c1ccc(NC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is NGQOSBDMZBSRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O5/c23-20(28)16-1-3-17(4-2-16)25-18(26)12-30-19(27)11-24-21(29)22-8-13-5-14(9-22)7-15(6-13)10-22/h1-4,13-15H,5-12H2,(H2,23,28)(H,24,29)(H,25,26).
What are the key properties of [2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 413.47 g/mol, XLogP of 1.60, 7 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] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).