2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

C27H29FN2O4 — CID 133213178

IUPAC2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2)cc1
InChIInChI=1S/C27H29FN2O4/c1-20(27(32)29-17-16-21-10-14-24(33-2)15-11-21)30(18-22-8-12-23(28)13-9-22)26(31)19-34-25-6-4-3-5-7-25/h3-15,20H,16-19H2,1-2H3,(H,29,32)
InChIKeyYNLJLASXIUDEDG-UHFFFAOYSA-N
MW464.54 g/mol
LogP3.99
Rot. Bonds11

About 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide

2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (PubChem CID 133213178) has the molecular formula C27H29FN2O4 and a molecular weight of 464.54 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
PubChem CID133213178
Molecular FormulaC27H29FN2O4
Molecular Weight464.54 g/mol
Exact Mass464.21
IUPAC Name2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
SMILESCOc1ccc(CCNC(=O)C(C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2)cc1
InChIInChI=1S/C27H29FN2O4/c1-20(27(32)29-17-16-21-10-14-24(33-2)15-11-21)30(18-22-8-12-23(28)13-9-22)26(31)19-34-25-6-4-3-5-7-25/h3-15,20H,16-19H2,1-2H3,(H,29,32)
InChIKeyYNLJLASXIUDEDG-UHFFFAOYSA-N
XLogP3.99
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.54
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-[(4-fluorophenyl)methyl-[2-(4-methoxyphenoxy)acetyl]amino]propanamide
CID 132708331
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-propylpropanamide
CID 132655908
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-(3-methylbutyl)propanamide
CID 133213190
2-[(4-fluorophenyl)methyl-propanoylamino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149813
(2S)-2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-propan-2-ylpropanamide
CID 100715965
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-3-phenyl-N-(2-phenylethyl)propanamide
CID 133236716
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
2-[(4-fluorophenyl)methyl-[2-(4-morpholin-4-ylsulfonylphenoxy)acetyl]amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 133149588
N-[(2-chlorophenyl)methyl]-2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]propanamide
CID 133213172
N-ethyl-2-[[2-(4-fluorophenoxy)acetyl]-[(3-methoxyphenyl)methyl]amino]propanamide
CID 132658708
N-ethyl-2-[[2-(4-ethylphenoxy)acetyl]-[(4-fluorophenyl)methyl]amino]propanamide
CID 132658337
2-[(4-methoxyphenyl)methyl-(2-phenoxyacetyl)amino]-N-(pyridin-3-ylmethyl)propanamide
CID 133213694

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The IUPAC name of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide (CID 133213178) is 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The canonical SMILES for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is COc1ccc(CCNC(=O)C(C)N(Cc2ccc(F)cc2)C(=O)COc2ccccc2)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
The InChIKey is YNLJLASXIUDEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN2O4/c1-20(27(32)29-17-16-21-10-14-24(33-2)15-11-21)30(18-22-8-12-23(28)13-9-22)26(31)19-34-25-6-4-3-5-7-25/h3-15,20H,16-19H2,1-2H3,(H,29,32).
What are the key properties of 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide?
2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide has a molecular weight of 464.54 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl-(2-phenoxyacetyl)amino]-N-[2-(4-methoxyphenyl)ethyl]propanamide is sourced from PubChem (CID 133213178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).