N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C29H33F3N2O4 — CID 171685665

IUPACN-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C)c(C(=O)N2CCC3(CC2)CC3NC(=O)C2(C(F)(F)F)CCC2)cc1OCc1ccccc1
InChIInChI=1S/C29H33F3N2O4/c1-19-15-22(37-2)23(38-18-20-7-4-3-5-8-20)16-21(19)25(35)34-13-11-27(12-14-34)17-24(27)33-26(36)28(9-6-10-28)29(30,31)32/h3-5,7-8,15-16,24H,6,9-14,17-18H2,1-2H3,(H,33,36)
InChIKeyMUJBKZXOMTUMMU-UHFFFAOYSA-N
MW530.59 g/mol
LogP5.43
Rot. Bonds7

About N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 171685665) has the molecular formula C29H33F3N2O4 and a molecular weight of 530.59 g/mol. Its IUPAC name is N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID171685665
Molecular FormulaC29H33F3N2O4
Molecular Weight530.59 g/mol
Exact Mass530.24
IUPAC NameN-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCOc1cc(C)c(C(=O)N2CCC3(CC2)CC3NC(=O)C2(C(F)(F)F)CCC2)cc1OCc1ccccc1
InChIInChI=1S/C29H33F3N2O4/c1-19-15-22(37-2)23(38-18-20-7-4-3-5-8-20)16-21(19)25(35)34-13-11-27(12-14-34)17-24(27)33-26(36)28(9-6-10-28)29(30,31)32/h3-5,7-8,15-16,24H,6,9-14,17-18H2,1-2H3,(H,33,36)
InChIKeyMUJBKZXOMTUMMU-UHFFFAOYSA-N
XLogP5.43
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.59
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-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

[7-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-4,7-diazaspiro[2.5]octan-4-yl]-[2-(trifluoromethyl)-4-pyridinyl]methanone
CID 171685782
[4-(difluoromethoxy)phenyl]-[1-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-1,6-diazaspiro[3.3]heptan-6-yl]methanone
CID 171684153
[4-(3-methoxy-4-phenylmethoxybenzoyl)piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 46413267
N-[2-(4,5-dimethoxy-2-methylbenzoyl)-2-azaspiro[3.5]nonan-7-yl]-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 171685693
methyl 2-(cyclohexanecarbonyl)-5-methoxy-4-phenylmethoxybenzoate
CID 142496966
2-hydroxy-3,4-dimethoxy-N-[6-[2-(4-methylphenyl)benzoyl]-6-azaspiro[2.5]octan-2-yl]benzamide
CID 171685247
1-[2-[(3-methoxy-4-phenylmethoxybenzoyl)amino]benzoyl]piperidine-4-carboxamide
CID 55642413
2-acetyl-4-methoxy-5-phenylmethoxybenzoic acid
CID 91863757
1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)piperidin-4-one
CID 163738613
(2S)-4-hydroxy-1-(5-methoxy-2-nitro-4-phenylmethoxybenzoyl)-2-methylpyrrolidine-2-carboxylic acid
CID 67013733
[9-(4-chloro-2-methoxybenzoyl)-3-[(2-phenylmethoxyphenyl)methyl]-3,9-diazaspiro[5.5]undecan-5-yl] 2,2,2-trifluoroacetate
CID 69439200
methyl 1-[2-[(4-fluorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 51153897

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 171685665) is N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is COc1cc(C)c(C(=O)N2CCC3(CC2)CC3NC(=O)C2(C(F)(F)F)CCC2)cc1OCc1ccccc1.
What is the InChIKey of N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is MUJBKZXOMTUMMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33F3N2O4/c1-19-15-22(37-2)23(38-18-20-7-4-3-5-8-20)16-21(19)25(35)34-13-11-27(12-14-34)17-24(27)33-26(36)28(9-6-10-28)29(30,31)32/h3-5,7-8,15-16,24H,6,9-14,17-18H2,1-2H3,(H,33,36).
What are the key properties of N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxy-2-methyl-5-phenylmethoxybenzoyl)-6-azaspiro[2.5]octan-2-yl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 171685665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).