[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate

C22H26FN3O4 — CID 7261239

IUPAC[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H26FN3O4/c1-4-26(14-20(27)24-13-16-5-9-18(23)10-6-16)21(28)15-30-22(29)17-7-11-19(12-8-17)25(2)3/h5-12H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyVYHSOIZPEPVSSQ-UHFFFAOYSA-N
MW415.47 g/mol
LogP2.21
Rot. Bonds9

About [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate

[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate (PubChem CID 7261239) has the molecular formula C22H26FN3O4 and a molecular weight of 415.47 g/mol. Its IUPAC name is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate.

Molecular Properties

Compound Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
PubChem CID7261239
Molecular FormulaC22H26FN3O4
Molecular Weight415.47 g/mol
Exact Mass415.19
IUPAC Name[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
SMILESCCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1ccc(N(C)C)cc1
InChIInChI=1S/C22H26FN3O4/c1-4-26(14-20(27)24-13-16-5-9-18(23)10-6-16)21(28)15-30-22(29)17-7-11-19(12-8-17)25(2)3/h5-12H,4,13-15H2,1-3H3,(H,24,27)
InChIKeyVYHSOIZPEPVSSQ-UHFFFAOYSA-N
XLogP2.21
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate with MolForge

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Related Compounds

[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-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705225
[2-[(4-methylphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519187
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] adamantane-1-carboxylate
CID 7866986
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
2-(4-aminophenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 119680664
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 2519513
2-[[2-(2-bromophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112777984
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
2-(3,4-dimethylphenyl)-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]acetamide
CID 8960641

Frequently Asked Questions

What is the IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The IUPAC name of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate (CID 7261239) is [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate.
What is the SMILES notation for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The canonical SMILES for [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate is CCN(CC(=O)NCc1ccc(F)cc1)C(=O)COC(=O)c1ccc(N(C)C)cc1.
What is the InChIKey of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
The InChIKey is VYHSOIZPEPVSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O4/c1-4-26(14-20(27)24-13-16-5-9-18(23)10-6-16)21(28)15-30-22(29)17-7-11-19(12-8-17)25(2)3/h5-12H,4,13-15H2,1-3H3,(H,24,27).
What are the key properties of [2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate?
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate has a molecular weight of 415.47 g/mol, XLogP of 2.21, 9 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] 4-(dimethylamino)benzoate is sourced from PubChem (CID 7261239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).