2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C22H25FN2O4 — CID 7788103

IUPAC2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O4/c1-3-20(26)17-7-11-19(12-8-17)29-15-22(28)25(4-2)14-21(27)24-13-16-5-9-18(23)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyHGUPIQUGDCUVNX-UHFFFAOYSA-N
MW400.45 g/mol
LogP2.96
Rot. Bonds10

About 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 7788103) has the molecular formula C22H25FN2O4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID7788103
Molecular FormulaC22H25FN2O4
Molecular Weight400.45 g/mol
Exact Mass400.18
IUPAC Name2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCC(=O)c1ccc(OCC(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1
InChIInChI=1S/C22H25FN2O4/c1-3-20(26)17-7-11-19(12-8-17)29-15-22(28)25(4-2)14-21(27)24-13-16-5-9-18(23)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,24,27)
InChIKeyHGUPIQUGDCUVNX-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-(4-iodophenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 55326117
N-ethyl-2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]acetamide
CID 9286983
4-butoxy-N-ethyl-N-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]benzamide
CID 18113059
2-[ethyl-[2-(2-methoxyphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266195
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
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 4-(dimethylamino)benzoate
CID 7261239
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 7705225
[2-[ethyl-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]amino]-2-oxoethyl] naphthalene-2-carboxylate
CID 7697950
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 26266099
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-(4-propanoylphenoxy)acetamide
CID 26447428
N,N-diethyl-2-[4-(4-fluorobenzoyl)phenoxy]acetamide
CID 78760744

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 7788103) is 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCC(=O)c1ccc(OCC(=O)N(CC)CC(=O)NCc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is HGUPIQUGDCUVNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O4/c1-3-20(26)17-7-11-19(12-8-17)29-15-22(28)25(4-2)14-21(27)24-13-16-5-9-18(23)10-6-16/h5-12H,3-4,13-15H2,1-2H3,(H,24,27).
What are the key properties of 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 400.45 g/mol, XLogP of 2.96, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-(4-propanoylphenoxy)acetyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 7788103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).