N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide

C26H27FN2O2 — CID 133238256

IUPACN-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
SMILESCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C26H27FN2O2/c1-2-28-26(31)25(22-11-7-4-8-12-22)29(19-21-13-16-23(27)17-14-21)24(30)18-15-20-9-5-3-6-10-20/h3-14,16-17,25H,2,15,18-19H2,1H3,(H,28,31)
InChIKeyVNTMTWWUNOGCPS-UHFFFAOYSA-N
MW418.51 g/mol
LogP4.66
Rot. Bonds9

About N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide

N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide (PubChem CID 133238256) has the molecular formula C26H27FN2O2 and a molecular weight of 418.51 g/mol. Its IUPAC name is N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
PubChem CID133238256
Molecular FormulaC26H27FN2O2
Molecular Weight418.51 g/mol
Exact Mass418.21
IUPAC NameN-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide
SMILESCCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1
InChIInChI=1S/C26H27FN2O2/c1-2-28-26(31)25(22-11-7-4-8-12-22)29(19-21-13-16-23(27)17-14-21)24(30)18-15-20-9-5-3-6-10-20/h3-14,16-17,25H,2,15,18-19H2,1H3,(H,28,31)
InChIKeyVNTMTWWUNOGCPS-UHFFFAOYSA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-fluorophenyl)methyl]-N-[2-(3-methylbutylamino)-2-oxo-1-phenylethyl]-3-phenylpropanamide
CID 133238286
N-ethyl-2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-3-phenylpropanamide
CID 132610905
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(3-propan-2-yloxypropylamino)ethyl]-3-phenylpropanamide
CID 133238282
N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(propylamino)ethyl]propanamide
CID 133238136
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-propylpropanamide
CID 132655615
3-[4-(ethylsulfamoyl)phenyl]-N-[(4-fluorophenyl)methyl]-N-[2-oxo-1-phenyl-2-(pyridin-2-ylmethylamino)ethyl]propanamide
CID 133237928
N-benzyl-2-[(4-fluorophenyl)methyl-(2-phenylacetyl)amino]-2-phenylacetamide
CID 133238234
N-benzyl-N-[2-oxo-1-phenyl-2-(prop-2-enylamino)ethyl]-3-phenylpropanamide
CID 133237161
2-[3-(4-tert-butylphenyl)propanoyl-[(4-fluorophenyl)methyl]amino]-N-ethylpropanamide
CID 132664191
2-[(4-fluorophenyl)methyl-(3-phenylpropanoyl)amino]-N-methyl-3-phenylpropanamide
CID 132947642
N-[(4-chlorophenyl)methyl]-3-[4-(ethylsulfamoyl)phenyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]propanamide
CID 133237376
N-[(4-methoxyphenyl)methyl]-N-[2-oxo-1-phenyl-2-(2-phenylethylamino)ethyl]butanamide
CID 133238726

Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
The IUPAC name of N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide (CID 133238256) is N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide.
What is the SMILES notation for N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
The canonical SMILES for N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide is CCNC(=O)C(c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1.
What is the InChIKey of N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
The InChIKey is VNTMTWWUNOGCPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O2/c1-2-28-26(31)25(22-11-7-4-8-12-22)29(19-21-13-16-23(27)17-14-21)24(30)18-15-20-9-5-3-6-10-20/h3-14,16-17,25H,2,15,18-19H2,1H3,(H,28,31).
What are the key properties of N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide?
N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide has a molecular weight of 418.51 g/mol, XLogP of 4.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylamino)-2-oxo-1-phenylethyl]-N-[(4-fluorophenyl)methyl]-3-phenylpropanamide is sourced from PubChem (CID 133238256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).