2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

C25H28FN3O2 — CID 26011498

IUPAC2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C25H28FN3O2/c1-3-29(16-24(30)27-15-19-8-12-23(26)13-9-19)17-25(31)28-18(2)21-11-10-20-6-4-5-7-22(20)14-21/h4-14,18H,3,15-17H2,1-2H3,(H,27,30)(H,28,31)/t18-/m1/s1
InChIKeyRMOPAHVZTFBAEC-GOSISDBHSA-N
MW421.52 g/mol
LogP3.79
Rot. Bonds9

About 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide

2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 26011498) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID26011498
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
SMILESCCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@H](C)c1ccc2ccccc2c1
InChIInChI=1S/C25H28FN3O2/c1-3-29(16-24(30)27-15-19-8-12-23(26)13-9-19)17-25(31)28-18(2)21-11-10-20-6-4-5-7-22(20)14-21/h4-14,18H,3,15-17H2,1-2H3,(H,27,30)(H,28,31)/t18-/m1/s1
InChIKeyRMOPAHVZTFBAEC-GOSISDBHSA-N
XLogP3.79
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[ethyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 8906831
2-[ethyl-[2-[[(3R)-2-methyl-4-oxopentan-3-yl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 95907538
2-[ethyl-[2-(naphthalen-1-ylamino)-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 27201362
2-[(3,4-difluorophenyl)methyl-methylamino]-N-(1-naphthalen-2-ylethyl)acetamide
CID 55558193
N-[(1S)-1-naphthalen-2-ylethyl]-2-[[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]-(2-pyrazol-1-ylethyl)amino]acetamide
CID 95352558
N-[[4-[1-[(2-chloroacetyl)amino]ethyl]phenyl]methyl]-2-naphthalen-2-ylacetamide
CID 154874968
2-[ethyl-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 31371490
2-[methyl-[2-[[(1S)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-propan-2-ylacetamide
CID 9050148
N-[(4-fluorophenyl)methyl]-N'-(1-phenylethyl)butanediamide
CID 3943943
1-[[4-(diethylsulfamoyl)phenyl]methyl]-3-(1-naphthalen-2-ylethyl)urea
CID 46486352
2-[(3-fluoro-4-methoxyphenyl)methyl-methylamino]-N-[(1S)-1-naphthalen-2-ylethyl]acetamide
CID 9113157
2-[ethyl-[2-[1-(4-fluorophenyl)ethylamino]-2-oxoethyl]amino]-N-(2-methoxyphenyl)acetamide
CID 46561149

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide (CID 26011498) is 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is CCN(CC(=O)NCc1ccc(F)cc1)CC(=O)N[C@H](C)c1ccc2ccccc2c1.
What is the InChIKey of 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is RMOPAHVZTFBAEC-GOSISDBHSA-N. The full InChI is InChI=1S/C25H28FN3O2/c1-3-29(16-24(30)27-15-19-8-12-23(26)13-9-19)17-25(31)28-18(2)21-11-10-20-6-4-5-7-22(20)14-21/h4-14,18H,3,15-17H2,1-2H3,(H,27,30)(H,28,31)/t18-/m1/s1.
What are the key properties of 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide?
2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 421.52 g/mol, XLogP of 3.79, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[[(1R)-1-naphthalen-2-ylethyl]amino]-2-oxoethyl]amino]-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 26011498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).