N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide

C25H31F3N2O3 — CID 70940266

IUPACN-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC2CCC(CNC(=O)c3cc(C)cc(C(F)(F)F)c3)CC2)c(OC)c1
InChIInChI=1S/C25H31F3N2O3/c1-16-10-19(12-20(11-16)25(26,27)28)24(31)30-14-17-4-7-21(8-5-17)29-15-18-6-9-22(32-2)13-23(18)33-3/h6,9-13,17,21,29H,4-5,7-8,14-15H2,1-3H3,(H,30,31)
InChIKeyXXTSBSCUGHVXGR-UHFFFAOYSA-N
MW464.53 g/mol
LogP5.11
Rot. Bonds8

About N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide

N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide (PubChem CID 70940266) has the molecular formula C25H31F3N2O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
PubChem CID70940266
Molecular FormulaC25H31F3N2O3
Molecular Weight464.53 g/mol
Exact Mass464.23
IUPAC NameN-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
SMILESCOc1ccc(CNC2CCC(CNC(=O)c3cc(C)cc(C(F)(F)F)c3)CC2)c(OC)c1
InChIInChI=1S/C25H31F3N2O3/c1-16-10-19(12-20(11-16)25(26,27)28)24(31)30-14-17-4-7-21(8-5-17)29-15-18-6-9-22(32-2)13-23(18)33-3/h6,9-13,17,21,29H,4-5,7-8,14-15H2,1-3H3,(H,30,31)
InChIKeyXXTSBSCUGHVXGR-UHFFFAOYSA-N
XLogP5.11
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.53
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide with MolForge

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Related Compounds

N-[[4-[(2-fluoro-6-methylphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide
CID 67567467
N-[[4-[(2-hydroxyphenyl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 44539487
N-[(1S,5S)-8-[(2,4-dimethoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-3,5-bis(trifluoromethyl)benzamide
CID 98185698
N-[[4-[(5-methyl-4,5-dihydro-1,2-oxazol-3-yl)methylamino]cyclohexyl]methyl]-3,5-bis(trifluoromethyl)benzamide
CID 143903157
N-[2-(2,4-dimethoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 110601493
N-[(2,4-dimethoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 43177543
N-[(2,4-dimethoxyphenyl)methyl]-3-ethylcyclopentan-1-amine
CID 64500923
N-[(2,4-dimethoxyphenyl)methyl]cyclododecanamine;hydrochloride
CID 21435442
N-[(2,4-dimethoxyphenyl)methyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 119107078
4-tert-butyl-N-[(2,4-dimethoxyphenyl)methyl]benzamide
CID 71822536
2-(cyclopentylamino)-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 63362881
3,5-bis(trifluoromethyl)-N-[(2,4,5-trimethoxyphenyl)methyl]benzamide
CID 18286098

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide?
The IUPAC name of N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide (CID 70940266) is N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide is COc1ccc(CNC2CCC(CNC(=O)c3cc(C)cc(C(F)(F)F)c3)CC2)c(OC)c1.
What is the InChIKey of N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide?
The InChIKey is XXTSBSCUGHVXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31F3N2O3/c1-16-10-19(12-20(11-16)25(26,27)28)24(31)30-14-17-4-7-21(8-5-17)29-15-18-6-9-22(32-2)13-23(18)33-3/h6,9-13,17,21,29H,4-5,7-8,14-15H2,1-3H3,(H,30,31).
What are the key properties of N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide?
N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide has a molecular weight of 464.53 g/mol, XLogP of 5.11, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethoxyphenyl)methylamino]cyclohexyl]methyl]-3-methyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 70940266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).