[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

C23H30N2O5 — CID 7190629

IUPAC[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCOc1cccc(CNC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O5/c1-29-19-4-2-3-15(8-19)12-24-20(26)14-30-21(27)13-25-22(28)23-9-16-5-17(10-23)7-18(6-16)11-23/h2-4,8,16-18H,5-7,9-14H2,1H3,(H,24,26)(H,25,28)
InChIKeyZYLILGJMTHFMIG-UHFFFAOYSA-N
MW414.50 g/mol
LogP2.19
Rot. Bonds8

About [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (PubChem CID 7190629) has the molecular formula C23H30N2O5 and a molecular weight of 414.50 g/mol. Its IUPAC name is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.

Molecular Properties

Compound Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
PubChem CID7190629
Molecular FormulaC23H30N2O5
Molecular Weight414.50 g/mol
Exact Mass414.22
IUPAC Name[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
SMILESCOc1cccc(CNC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C23H30N2O5/c1-29-19-4-2-3-15(8-19)12-24-20(26)14-30-21(27)13-25-22(28)23-9-16-5-17(10-23)7-18(6-16)11-23/h2-4,8,16-18H,5-7,9-14H2,1H3,(H,24,26)(H,25,28)
InChIKeyZYLILGJMTHFMIG-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[[2-(1-adamantyl)acetyl]amino]acetate
CID 7360322
[2-(benzylcarbamoylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190632
1-[2-(adamantane-1-carbonylamino)acetyl]-N-[(3-methoxyphenyl)methyl]piperidine-4-carboxamide
CID 86768111
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 7190874
1-(1-adamantyl)-3-[(3-methoxyphenyl)methyl]urea
CID 2982025
[2-(methylamino)-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 3667781
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] (1S,5R)-9-oxobicyclo[3.3.1]nonane-3-carboxylate
CID 7187047
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-[(3-nitrobenzoyl)amino]acetate
CID 7843444
[2-[3-(ethylcarbamoyl)anilino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate
CID 34328308
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 7842501
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 5-bromofuran-2-carboxylate
CID 8014074
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] benzoate
CID 7514894

Frequently Asked Questions

What is the IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The IUPAC name of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate (CID 7190629) is [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate.
What is the SMILES notation for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The canonical SMILES for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is COc1cccc(CNC(=O)COC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
The InChIKey is ZYLILGJMTHFMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O5/c1-29-19-4-2-3-15(8-19)12-24-20(26)14-30-21(27)13-25-22(28)23-9-16-5-17(10-23)7-18(6-16)11-23/h2-4,8,16-18H,5-7,9-14H2,1H3,(H,24,26)(H,25,28).
What are the key properties of [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate?
[2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate has a molecular weight of 414.50 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-methoxyphenyl)methylamino]-2-oxoethyl] 2-(adamantane-1-carbonylamino)acetate is sourced from PubChem (CID 7190629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).