[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

C22H25FN2O5 — CID 7705225

IUPAC[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H25FN2O5/c1-3-25(14-20(26)24-13-17-4-8-18(23)9-5-17)21(27)15-30-22(28)12-16-6-10-19(29-2)11-7-16/h4-11H,3,12-15H2,1-2H3,(H,24,26)
InChIKeySLNFTIAKKXKHQZ-UHFFFAOYSA-N
MW416.45 g/mol
LogP2.08
Rot. Bonds10

About [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate

[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (PubChem CID 7705225) has the molecular formula C22H25FN2O5 and a molecular weight of 416.45 g/mol. Its IUPAC name is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.

Molecular Properties

Compound Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
PubChem CID7705225
Molecular FormulaC22H25FN2O5
Molecular Weight416.45 g/mol
Exact Mass416.17
IUPAC Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)Cc1ccc(OC)cc1
InChIInChI=1S/C22H25FN2O5/c1-3-25(14-20(26)24-13-17-4-8-18(23)9-5-17)21(27)15-30-22(28)12-16-6-10-19(29-2)11-7-16/h4-11H,3,12-15H2,1-2H3,(H,24,26)
InChIKeySLNFTIAKKXKHQZ-UHFFFAOYSA-N
XLogP2.08
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate with MolForge

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Related Compounds

2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697950
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 7788103
2-(4-bromophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 27821749
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239
[2-[ethyl-[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-(4-bromophenyl)acetate
CID 9342519
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7866986
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
2-[ethyl-[2-(2-phenylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 2438719

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate (CID 7705225) is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate.
What is the SMILES notation for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The canonical SMILES for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)Cc1ccc(OC)cc1.
What is the InChIKey of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
The InChIKey is SLNFTIAKKXKHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O5/c1-3-25(14-20(26)24-13-17-4-8-18(23)9-5-17)21(27)15-30-22(28)12-16-6-10-19(29-2)11-7-16/h4-11H,3,12-15H2,1-2H3,(H,24,26).
What are the key properties of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate?
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate has a molecular weight of 416.45 g/mol, XLogP of 2.08, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate is sourced from PubChem (CID 7705225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).