N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

C21H25FN2O4 — CID 132658708

IUPACN-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4/c1-4-23-21(26)15(2)24(13-16-6-5-7-19(12-16)27-3)20(25)14-28-18-10-8-17(22)9-11-18/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyUVFBKWUVQHVUIK-UHFFFAOYSA-N
MW388.44 g/mol
LogP2.77
Rot. Bonds9

About N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide

N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (PubChem CID 132658708) has the molecular formula C21H25FN2O4 and a molecular weight of 388.44 g/mol. Its IUPAC name is N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
PubChem CID132658708
Molecular FormulaC21H25FN2O4
Molecular Weight388.44 g/mol
Exact Mass388.18
IUPAC NameN-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
SMILESCCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1
InChIInChI=1S/C21H25FN2O4/c1-4-23-21(26)15(2)24(13-16-6-5-7-19(12-16)27-3)20(25)14-28-18-10-8-17(22)9-11-18/h5-12,15H,4,13-14H2,1-3H3,(H,23,26)
InChIKeyUVFBKWUVQHVUIK-UHFFFAOYSA-N
XLogP2.77
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2-[(3-methoxyphenyl)methyl-[2-(2-propan-2-ylphenoxy)acetyl]amino]propanamide
CID 132664171
(2R)-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-(2-methylpropyl)butanamide
CID 100502360
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132658337
(2S)-N-[(2R)-butan-2-yl]-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 100599959
N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
2-[[2-(4-chlorophenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132659703
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133213178
N-ethyl-2-[[2-(4-methoxyphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-3-phenylpropanamide
CID 132616204
(2R)-2-[[2-(4-bromophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 100714271
N-butan-2-yl-2-[[2-(4-ethylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132710427
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908
2-[[2-(4-tert-butylphenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]-N-propan-2-ylpropanamide
CID 132672100

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The IUPAC name of N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide (CID 132658708) is N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide.
What is the SMILES notation for N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The canonical SMILES for N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is CCNC(=O)C(C)N(Cc1cccc(OC)c1)C(=O)COc1ccc(F)cc1.
What is the InChIKey of N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
The InChIKey is UVFBKWUVQHVUIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O4/c1-4-23-21(26)15(2)24(13-16-6-5-7-19(12-16)27-3)20(25)14-28-18-10-8-17(22)9-11-18/h5-12,15H,4,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide?
N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide has a molecular weight of 388.44 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide is sourced from PubChem (CID 132658708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).