N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide

C89H93F3N6O10 — CID 161034419

IUPACN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)C2CC2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H38N2O3.C30H27F3N2O4.C26H28N2O3/c1-37-31-20-24(10-11-30(31)38-22-23-7-3-2-4-8-23)21-35(14-12-29-9-5-6-13-34-29)33(36)32-27-16-25-15-26(18-27)19-28(32)17-25;1-37-28-19-23(10-15-27(28)38-21-22-7-3-2-4-8-22)20-35(18-16-25-9-5-6-17-34-25)29(36)24-11-13-26(14-12-24)39-30(31,32)33;1-30-25-17-21(10-13-24(25)31-19-20-7-3-2-4-8-20)18-28(26(29)22-11-12-22)16-14-23-9-5-6-15-27-23/h2-11,13,20,25-28,32H,12,14-19,21-22H2,1H3;2-15,17,19H,16,18,20-21H2,1H3;2-10,13,15,17,22H,11-12,14,16,18-19H2,1H3
InChIKeyUABHNOCRDZXBFE-UHFFFAOYSA-N
MW1463.75 g/mol
LogP17.42
Rot. Bonds31

About N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide

N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide (PubChem CID 161034419) has the molecular formula C89H93F3N6O10 and a molecular weight of 1463.75 g/mol. Its IUPAC name is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide
PubChem CID161034419
Molecular FormulaC89H93F3N6O10
Molecular Weight1463.75 g/mol
Exact Mass1462.69
IUPAC NameN-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)C2CC2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H38N2O3.C30H27F3N2O4.C26H28N2O3/c1-37-31-20-24(10-11-30(31)38-22-23-7-3-2-4-8-23)21-35(14-12-29-9-5-6-13-34-29)33(36)32-27-16-25-15-26(18-27)19-28(32)17-25;1-37-28-19-23(10-15-27(28)38-21-22-7-3-2-4-8-22)20-35(18-16-25-9-5-6-17-34-25)29(36)24-11-13-26(14-12-24)39-30(31,32)33;1-30-25-17-21(10-13-24(25)31-19-20-7-3-2-4-8-20)18-28(26(29)22-11-12-22)16-14-23-9-5-6-15-27-23/h2-11,13,20,25-28,32H,12,14-19,21-22H2,1H3;2-15,17,19H,16,18,20-21H2,1H3;2-10,13,15,17,22H,11-12,14,16,18-19H2,1H3
InChIKeyUABHNOCRDZXBFE-UHFFFAOYSA-N
XLogP17.42
TPSA164.21 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds31
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001463.75
LogP ≤ 517.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide with MolForge

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Related Compounds

1-[4-[3-[4-[(4-Fluorophenyl)-pyridin-2-ylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 15093865
N-[[7-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-2-fluorobenzamide
CID 42363193
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
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
3-[1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbonyl)-3-piperidinyl]-N-methyl-N-[2-(2-pyridinyl)ethyl]propanamide
CID 16189195
N-[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]-6-(4-pyridin-2-ylphenoxy)pyridine-3-carboxamide
CID 156013744
2-[3-(Dimethylamino)phenyl]-4-(4-fluoropiperidine-1-carbonyl)-7-methoxy-6-(pyridin-2-ylmethoxy)isoquinolin-1-one
CID 172450399
N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxy-4-(pyridin-2-ylmethoxy)benzamide
CID 32037772

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide (CID 161034419) is N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide is COc1cc(CN(CCc2ccccn2)C(=O)C2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)C2CC2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccccc1.
What is the InChIKey of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is UABHNOCRDZXBFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2O3.C30H27F3N2O4.C26H28N2O3/c1-37-31-20-24(10-11-30(31)38-22-23-7-3-2-4-8-23)21-35(14-12-29-9-5-6-13-34-29)33(36)32-27-16-25-15-26(18-27)19-28(32)17-25;1-37-28-19-23(10-15-27(28)38-21-22-7-3-2-4-8-22)20-35(18-16-25-9-5-6-17-34-25)29(36)24-11-13-26(14-12-24)39-30(31,32)33;1-30-25-17-21(10-13-24(25)31-19-20-7-3-2-4-8-20)18-28(26(29)22-11-12-22)16-14-23-9-5-6-15-27-23/h2-11,13,20,25-28,32H,12,14-19,21-22H2,1H3;2-15,17,19H,16,18,20-21H2,1H3;2-10,13,15,17,22H,11-12,14,16,18-19H2,1H3.
What are the key properties of N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide?
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 1463.75 g/mol, XLogP of 17.42, 31 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)adamantane-2-carboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)cyclopropanecarboxamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 161034419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).