N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide

C87H85F3N6O9 — CID 159162788

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide
SMILESC#CC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.COc1cc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C32H34N2O3.C30H27F3N2O3.C25H24N2O3/c1-36-31-23-28(18-19-30(31)37-25-27-13-6-3-7-14-27)24-34(22-20-29-16-8-9-21-33-29)32(35)17-10-15-26-11-4-2-5-12-26;1-37-28-19-23(10-15-27(28)38-21-22-7-3-2-4-8-22)20-35(18-16-26-9-5-6-17-34-26)29(36)24-11-13-25(14-12-24)30(31,32)33;1-3-25(28)27(16-14-22-11-7-8-15-26-22)18-21-12-13-23(24(17-21)29-2)30-19-20-9-5-4-6-10-20/h2-9,11-14,16,18-19,21,23H,10,15,17,20,22,24-25H2,1H3;2-15,17,19H,16,18,20-21H2,1H3;1,4-13,15,17H,14,16,18-19H2,2H3
InChIKeyKKRZXQDLODQAAF-UHFFFAOYSA-N
MW1415.66 g/mol
LogP16.71
Rot. Bonds32

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide (PubChem CID 159162788) has the molecular formula C87H85F3N6O9 and a molecular weight of 1415.66 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide
PubChem CID159162788
Molecular FormulaC87H85F3N6O9
Molecular Weight1415.66 g/mol
Exact Mass1414.63
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide
SMILESC#CC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.COc1cc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C32H34N2O3.C30H27F3N2O3.C25H24N2O3/c1-36-31-23-28(18-19-30(31)37-25-27-13-6-3-7-14-27)24-34(22-20-29-16-8-9-21-33-29)32(35)17-10-15-26-11-4-2-5-12-26;1-37-28-19-23(10-15-27(28)38-21-22-7-3-2-4-8-22)20-35(18-16-26-9-5-6-17-34-26)29(36)24-11-13-25(14-12-24)30(31,32)33;1-3-25(28)27(16-14-22-11-7-8-15-26-22)18-21-12-13-23(24(17-21)29-2)30-19-20-9-5-4-6-10-20/h2-9,11-14,16,18-19,21,23H,10,15,17,20,22,24-25H2,1H3;2-15,17,19H,16,18,20-21H2,1H3;1,4-13,15,17H,14,16,18-19H2,2H3
InChIKeyKKRZXQDLODQAAF-UHFFFAOYSA-N
XLogP16.71
TPSA154.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds32
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001415.66
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide with MolForge

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Related Compounds

4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide;bis(2,2,2-trifluoroacetic acid)
CID 45488408
6-fluoro-N-[3-fluoro-4-[6-methoxy-7-(3-piperidin-1-ylpropoxy)quinolin-4-yl]oxyphenyl]-2-(4-methylphenyl)quinoline-4-carboxamide
CID 71697980
N-(4-(benzyloxy)-3-methoxybenzyl)-5-phenyl-N-(2-(pyridin-2-yl)ethyl)pentanamide
CID 10229237
[4-(2,2-Difluoroethyl)-2-pyridin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-9-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
CID 60199269
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 45488409
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 11756002
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenyl-N-(2-pyridin-2-ylethyl)cyclopropane-1-carboxamide
CID 44392765
4-methoxy-N-(pyridin-4-ylmethyl)-N-[[3-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]methyl]benzamide
CID 135187669
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-piperidinyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide
CID 16189195
N-[[3-(2-hydroxyethoxy)-4-phenylmethoxyphenyl]methyl]-5-phenyl-N-(2-pyridin-2-ylethyl)pentanamide
CID 44392803
N-{3-[2-(4-fluorophenyl)ethoxy]benzyl}-3,4-dimethoxy-N-(4-pyridinylmethyl)benzamide
CID 42472657
N-[3-(cyclopentyloxy)-4-methoxybenzyl]-3'-fluoro-N-(4-pyridinylmethyl)-4-biphenylcarboxamide
CID 42484394

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide (CID 159162788) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide is C#CC(=O)N(CCc1ccccn1)Cc1ccc(OCc2ccccc2)c(OC)c1.COc1cc(CN(CCc2ccccn2)C(=O)CCCc2ccccc2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(C(F)(F)F)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide?
The InChIKey is KKRZXQDLODQAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34N2O3.C30H27F3N2O3.C25H24N2O3/c1-36-31-23-28(18-19-30(31)37-25-27-13-6-3-7-14-27)24-34(22-20-29-16-8-9-21-33-29)32(35)17-10-15-26-11-4-2-5-12-26;1-37-28-19-23(10-15-27(28)38-21-22-7-3-2-4-8-22)20-35(18-16-26-9-5-6-17-34-26)29(36)24-11-13-25(14-12-24)30(31,32)33;1-3-25(28)27(16-14-22-11-7-8-15-26-22)18-21-12-13-23(24(17-21)29-2)30-19-20-9-5-4-6-10-20/h2-9,11-14,16,18-19,21,23H,10,15,17,20,22,24-25H2,1H3;2-15,17,19H,16,18,20-21H2,1H3;1,4-13,15,17H,14,16,18-19H2,2H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide has a molecular weight of 1415.66 g/mol, XLogP of 16.71, 32 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-4-phenyl-N-(2-pyridin-2-ylethyl)butanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)prop-2-ynamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 159162788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).