N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

C28H28F3N3O3 — CID 10391647

IUPACN-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCOc1ccc(CC(c2cccc(C#N)c2)C(C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C28H28F3N3O3/c1-18(34-26(35)27(2,3)37-25-13-10-22(17-33-25)28(29,30)31)24(21-7-5-6-20(14-21)16-32)15-19-8-11-23(36-4)12-9-19/h5-14,17-18,24H,15H2,1-4H3,(H,34,35)
InChIKeyUTXYKJJGFQXXRK-UHFFFAOYSA-N
MW511.54 g/mol
LogP5.67
Rot. Bonds9

About N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide

N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (PubChem CID 10391647) has the molecular formula C28H28F3N3O3 and a molecular weight of 511.54 g/mol. Its IUPAC name is N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound NameN-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
PubChem CID10391647
Molecular FormulaC28H28F3N3O3
Molecular Weight511.54 g/mol
Exact Mass511.21
IUPAC NameN-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
SMILESCOc1ccc(CC(c2cccc(C#N)c2)C(C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C28H28F3N3O3/c1-18(34-26(35)27(2,3)37-25-13-10-22(17-33-25)28(29,30)31)24(21-7-5-6-20(14-21)16-32)15-19-8-11-23(36-4)12-9-19/h5-14,17-18,24H,15H2,1-4H3,(H,34,35)
InChIKeyUTXYKJJGFQXXRK-UHFFFAOYSA-N
XLogP5.67
TPSA84.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.54
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide 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

N-[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]-2-[[5-[difluoro(phosphanyl)methyl]-2-pyridinyl]oxy]-2-methylpropanamide
CID 142807556
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(fluoromethoxy)phenyl]butan-2-yl]-2-methyl-2-[[4-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11353054
N-[(2S,3S)-3-(3-cyanophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-[(5-fluoro-2-pyridinyl)oxy]-2-methylpropanamide
CID 11271862
N-[3-(3-cyano-5-fluorophenyl)-4-[4-(2-fluoroethoxy)phenyl]butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 11478538
N-[3-(3-cyanophenyl)-4-cyclopentylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 10096399
N-[(2S,3S)-3-(3-cyano-5-fluorophenyl)-4-(4-hydroxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 16748195
3-[(3S)-1-(4-chlorophenyl)-3-[[2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanoyl]amino]butan-2-yl]benzamide
CID 163924092
N-[3-[3-(2-amino-2-oxoethoxy)phenyl]-4-(4-chlorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 59846824
6-[1-[[4-(4-chlorophenyl)-3-(3-cyanophenyl)butan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]oxypyridine-3-sulfinate
CID 23404806
N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-(4-fluorophenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120786
N-[4-(4-bromophenyl)-3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120789
N-[3-[3-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]phenyl]-4-phenylbutan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 25120435

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The IUPAC name of N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide (CID 10391647) is N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is COc1ccc(CC(c2cccc(C#N)c2)C(C)NC(=O)C(C)(C)Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
The InChIKey is UTXYKJJGFQXXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28F3N3O3/c1-18(34-26(35)27(2,3)37-25-13-10-22(17-33-25)28(29,30)31)24(21-7-5-6-20(14-21)16-32)15-19-8-11-23(36-4)12-9-19/h5-14,17-18,24H,15H2,1-4H3,(H,34,35).
What are the key properties of N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide?
N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide has a molecular weight of 511.54 g/mol, XLogP of 5.67, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanophenyl)-4-(4-methoxyphenyl)butan-2-yl]-2-methyl-2-[[5-(trifluoromethyl)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 10391647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).