2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide

C21H26FN3O3 — CID 46561149

IUPAC2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O3/c1-4-25(14-21(27)24-18-7-5-6-8-19(18)28-3)13-20(26)23-15(2)16-9-11-17(22)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyAKHFTWMVUFNVEN-UHFFFAOYSA-N
MW387.46 g/mol
LogP2.97
Rot. Bonds9

About 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide

2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide (PubChem CID 46561149) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
PubChem CID46561149
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
SMILESCCN(CC(=O)Nc1ccccc1OC)CC(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C21H26FN3O3/c1-4-25(14-21(27)24-18-7-5-6-8-19(18)28-3)13-20(26)23-15(2)16-9-11-17(22)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27)
InChIKeyAKHFTWMVUFNVEN-UHFFFAOYSA-N
XLogP2.97
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-N'-(1-phenylethyl)propanediamide
CID 108945965
methyl (2R)-3-[ethyl-[2-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-2-oxoethyl]amino]-2-methylpropanoate
CID 98753918
2-[[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9030121
N-(4-acetamidophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029924
2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-phenylphenyl)acetamide
CID 4882753
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-ethylamino]-N-(2-methoxyphenyl)acetamide
CID 9029907
2-[[2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetyl]amino]-N-(1-phenylethyl)benzamide
CID 42913741
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]-N-(2-methylsulfanylphenyl)propanamide
CID 55482070
N-(3-chloro-4-fluorophenyl)-2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetamide
CID 9029512
propan-2-yl 4-[[2-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]acetyl]amino]benzoate
CID 9029476
3-[ethyl-[2-(2-methoxyanilino)-2-oxoethyl]amino]butanoic acid
CID 62827296

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide (CID 46561149) is 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide is CCN(CC(=O)Nc1ccccc1OC)CC(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide?
The InChIKey is AKHFTWMVUFNVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-4-25(14-21(27)24-18-7-5-6-8-19(18)28-3)13-20(26)23-15(2)16-9-11-17(22)12-10-16/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)(H,24,27).
What are the key properties of 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide?
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide has a molecular weight of 387.46 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 46561149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).