N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide

C26H27F3N2O — CID 123572386

IUPACN-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide
SMILESCC1(C(F)(F)F)C=CC(N2CCC3(CC2)CC3NC(=O)c2cccc3ccccc23)=CC1
InChIInChI=1S/C26H27F3N2O/c1-24(26(27,28)29)11-9-19(10-12-24)31-15-13-25(14-16-31)17-22(25)30-23(32)21-8-4-6-18-5-2-3-7-20(18)21/h2-11,22H,12-17H2,1H3,(H,30,32)
InChIKeySLYLOYXEFGYUMX-UHFFFAOYSA-N
MW440.51 g/mol
LogP5.84
Rot. Bonds3

About N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide

N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide (PubChem CID 123572386) has the molecular formula C26H27F3N2O and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide
PubChem CID123572386
Molecular FormulaC26H27F3N2O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC NameN-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide
SMILESCC1(C(F)(F)F)C=CC(N2CCC3(CC2)CC3NC(=O)c2cccc3ccccc23)=CC1
InChIInChI=1S/C26H27F3N2O/c1-24(26(27,28)29)11-9-19(10-12-24)31-15-13-25(14-16-31)17-22(25)30-23(32)21-8-4-6-18-5-2-3-7-20(18)21/h2-11,22H,12-17H2,1H3,(H,30,32)
InChIKeySLYLOYXEFGYUMX-UHFFFAOYSA-N
XLogP5.84
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.51
LogP ≤ 55.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide 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

2,3-dimethoxy-N-(6-phenyl-6-azaspiro[2.5]octan-2-yl)benzamide
CID 67129577
N-[(1R,5S)-3,3,5-trimethylcyclohexyl]naphthalene-1-carboxamide
CID 1206106
N-[1-(naphthalene-1-carbonyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108554043
methyl 4-(naphthalene-1-carbonylamino)piperidine-1-carboxylate
CID 108561371
N-[(3S)-pyrrolidin-3-yl]naphthalene-1-carboxamide
CID 79689471
N-[1-(2-fluorobenzoyl)piperidin-4-yl]naphthalene-1-carboxamide
CID 108553997
(4-hydroxy-2,2-dimethylpyrrolidin-1-yl)-naphthalen-1-ylmethanone
CID 115275398
N-(2-aminocyclopropyl)naphthalene-1-carboxamide
CID 43593836
N-[(3S,4R)-1,1-dioxo-4-piperidin-1-ylthiolan-3-yl]naphthalene-1-carboxamide
CID 97017849
2-[2-[[(1R,2S)-2-ethoxy-2-methylcyclopropyl]carbamoyl]phenyl]benzoic acid
CID 136584706
N-[(3R)-1-cyclopropyl-5-oxopyrrolidin-3-yl]naphthalene-1-carboxamide
CID 95985176
N-[6-(2-methylpropyl)-6-azaspiro[2.5]octan-2-yl]benzamide
CID 129116068

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide?
The IUPAC name of N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide (CID 123572386) is N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide.
What is the SMILES notation for N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide?
The canonical SMILES for N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide is CC1(C(F)(F)F)C=CC(N2CCC3(CC2)CC3NC(=O)c2cccc3ccccc23)=CC1.
What is the InChIKey of N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide?
The InChIKey is SLYLOYXEFGYUMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F3N2O/c1-24(26(27,28)29)11-9-19(10-12-24)31-15-13-25(14-16-31)17-22(25)30-23(32)21-8-4-6-18-5-2-3-7-20(18)21/h2-11,22H,12-17H2,1H3,(H,30,32).
What are the key properties of N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide?
N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 5.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-methyl-4-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]-6-azaspiro[2.5]octan-2-yl]naphthalene-1-carboxamide is sourced from PubChem (CID 123572386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).