[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

C23H30N2O5 — CID 7884866

IUPAC[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H30N2O5/c1-2-29-19-5-3-18(4-6-19)22(28)24-13-21(27)30-14-20(26)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyLZEKUYVUOKOKEJ-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.44
Rot. Bonds8

About [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate

[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (PubChem CID 7884866) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.

Molecular Properties

Compound Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
PubChem CID7884866
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
SMILESCCOc1ccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H30N2O5/c1-2-29-19-5-3-18(4-6-19)22(28)24-13-21(27)30-14-20(26)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,28)(H,25,26)
InChIKeyLZEKUYVUOKOKEJ-UHFFFAOYSA-N
XLogP2.44
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4802592
[2-(1-adamantylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133135
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884698
[2-(4-ethoxyanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884932
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 27928826
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190589
[2-(1-adamantylamino)-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844599
[2-(4-carbamoylanilino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7899536
[2-[2-(4-ethoxyphenoxy)ethylamino]-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 27928920
[2-(1-adamantylamino)-2-oxoethyl] 2-phenoxyacetate
CID 5158793
[2-(1-adamantylamino)-2-oxoethyl] 2-[4-[(4-ethoxyphenyl)sulfonyl-methylamino]phenoxy]acetate
CID 3606825
[2-oxo-2-[[(2S)-oxolan-2-yl]methylamino]ethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884918

Frequently Asked Questions

What is the IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The IUPAC name of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate (CID 7884866) is [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate.
What is the SMILES notation for [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The canonical SMILES for [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is CCOc1ccc(C(=O)NCC(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
The InChIKey is LZEKUYVUOKOKEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-2-29-19-5-3-18(4-6-19)22(28)24-13-21(27)30-14-20(26)25-23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,28)(H,25,26).
What are the key properties of [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate?
[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate has a molecular weight of 414.50 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate is sourced from PubChem (CID 7884866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).