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

C23H29NO5 — CID 7190589

IUPAC[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCCOc1ccc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H29NO5/c1-2-28-19-5-3-18(4-6-19)20(25)14-29-21(26)13-24-22(27)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,27)
InChIKeyBDKYTJFIABYSNX-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.14
Rot. Bonds8

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

[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190589) has the molecular formula C23H29NO5 and a molecular weight of 399.49 g/mol. Its IUPAC name is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190589
Molecular FormulaC23H29NO5
Molecular Weight399.49 g/mol
Exact Mass399.20
IUPAC Name[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCCOc1ccc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C23H29NO5/c1-2-28-19-5-3-18(4-6-19)20(25)14-29-21(26)13-24-22(27)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,27)
InChIKeyBDKYTJFIABYSNX-UHFFFAOYSA-N
XLogP3.14
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1-adamantylamino)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884866
(5-acetyl-2-ethoxyphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 3358991
[2-(4-fluorophenyl)-2-oxoethyl] 2-[(4-ethoxybenzoyl)amino]acetate
CID 7884853
N-[3-[2-(4-ethoxybenzoyl)hydrazinyl]-3-oxopropyl]adamantane-1-carboxamide
CID 8638102
[2-(1-adamantylamino)-2-oxoethyl] 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 7133135
[2-(4-carbamoylanilino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190927
1-(1-adamantyl)-2-(4-ethoxyphenyl)ethane-1,2-dione
CID 69109478
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3689491
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885033
[2-[benzyl(ethyl)amino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190949
(4-methylphenyl)methyl 2-(adamantane-1-carbonylamino)acetate
CID 7190613

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 7190589) is [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is CCOc1ccc(C(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is BDKYTJFIABYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO5/c1-2-28-19-5-3-18(4-6-19)20(25)14-29-21(26)13-24-22(27)23-10-15-7-16(11-23)9-17(8-15)12-23/h3-6,15-17H,2,7-14H2,1H3,(H,24,27).
What are the key properties of [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 399.49 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethoxyphenyl)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).