4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide

C88H100N6O9 — CID 157171642

IUPAC4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide
SMILESCOc1cc(CN(CCc2cccnc2)C(=O)C(C)C)ccc1OCc1ccccc1.COc1cc(CN(CCc2cccnc2)C(=O)C2CCCCC2)ccc1OCc1ccccc1.COc1cc(CN(CCc2cccnc2)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O3.C29H34N2O3.C26H30N2O3/c1-33(2,3)29-15-13-28(14-16-29)32(36)35(20-18-25-11-8-19-34-22-25)23-27-12-17-30(31(21-27)37-4)38-24-26-9-6-5-7-10-26;1-33-28-19-25(14-15-27(28)34-22-24-9-4-2-5-10-24)21-31(18-16-23-11-8-17-30-20-23)29(32)26-12-6-3-7-13-26;1-20(2)26(29)28(15-13-21-10-7-14-27-17-21)18-23-11-12-24(25(16-23)30-3)31-19-22-8-5-4-6-9-22/h5-17,19,21-22H,18,20,23-24H2,1-4H3;2,4-5,8-11,14-15,17,19-20,26H,3,6-7,12-13,16,18,21-22H2,1H3;4-12,14,16-17,20H,13,15,18-19H2,1-3H3
InChIKeyANNMYPCEFDEUQL-UHFFFAOYSA-N
MW1385.80 g/mol
LogP17.57
Rot. Bonds30

About 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide

4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide (PubChem CID 157171642) has the molecular formula C88H100N6O9 and a molecular weight of 1385.80 g/mol. Its IUPAC name is 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide.

Molecular Properties

Compound Name4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide
PubChem CID157171642
Molecular FormulaC88H100N6O9
Molecular Weight1385.80 g/mol
Exact Mass1384.76
IUPAC Name4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide
SMILESCOc1cc(CN(CCc2cccnc2)C(=O)C(C)C)ccc1OCc1ccccc1.COc1cc(CN(CCc2cccnc2)C(=O)C2CCCCC2)ccc1OCc1ccccc1.COc1cc(CN(CCc2cccnc2)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O3.C29H34N2O3.C26H30N2O3/c1-33(2,3)29-15-13-28(14-16-29)32(36)35(20-18-25-11-8-19-34-22-25)23-27-12-17-30(31(21-27)37-4)38-24-26-9-6-5-7-10-26;1-33-28-19-25(14-15-27(28)34-22-24-9-4-2-5-10-24)21-31(18-16-23-11-8-17-30-20-23)29(32)26-12-6-3-7-13-26;1-20(2)26(29)28(15-13-21-10-7-14-27-17-21)18-23-11-12-24(25(16-23)30-3)31-19-22-8-5-4-6-9-22/h5-17,19,21-22H,18,20,23-24H2,1-4H3;2,4-5,8-11,14-15,17,19-20,26H,3,6-7,12-13,16,18,21-22H2,1H3;4-12,14,16-17,20H,13,15,18-19H2,1-3H3
InChIKeyANNMYPCEFDEUQL-UHFFFAOYSA-N
XLogP17.57
TPSA154.98 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms103
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001385.80
LogP ≤ 517.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide with MolForge

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Related Compounds

[9-[[3-(2-Methoxyphenoxy)phenyl]methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-(1-oxidopyridin-1-ium-4-yl)methanone
CID 11951000
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-[4-[2-(4-methylpiperazin-1-yl)ethoxy]-2-pyridinyl]methanone
CID 59633936
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-3-ylmethanone
CID 155547861
N-(4-(benzyloxy)-3-methoxybenzyl)-5-phenyl-N-(2-(pyridin-2-yl)ethyl)pentanamide
CID 10229237
4-methoxy-N-[[3-[2-(4-methylphenyl)ethoxy]phenyl]methyl]-N-(pyridin-4-ylmethyl)benzamide
CID 135187683
4-[1-(2,2-diphenylethyl)piperidin-4-yl]oxy-3-methoxy-N-(2-pyridin-2-ylethyl)benzamide
CID 45488409
N-hydroxy-4-methoxy-3-[(4-pyridin-3-ylphenyl)methoxy]benzamide
CID 155529762
[3-[4-[(4-Ethylphenyl)methoxy]-3-methoxyphenyl]azetidin-1-yl]-pyridin-4-ylmethanone
CID 155561288
4-[3-[3,4-Bis(phenylmethoxy)phenyl]-4-pyridinyl]benzaldehyde
CID 168290778
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
N-[[3-(cyclohexylmethoxy)phenyl]methyl]-4-methoxy-N-(pyridin-4-ylmethyl)benzamide
CID 135187221

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide?
The IUPAC name of 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide (CID 157171642) is 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide.
What is the SMILES notation for 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide?
The canonical SMILES for 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide is COc1cc(CN(CCc2cccnc2)C(=O)C(C)C)ccc1OCc1ccccc1.COc1cc(CN(CCc2cccnc2)C(=O)C2CCCCC2)ccc1OCc1ccccc1.COc1cc(CN(CCc2cccnc2)C(=O)c2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1.
What is the InChIKey of 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide?
The InChIKey is ANNMYPCEFDEUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O3.C29H34N2O3.C26H30N2O3/c1-33(2,3)29-15-13-28(14-16-29)32(36)35(20-18-25-11-8-19-34-22-25)23-27-12-17-30(31(21-27)37-4)38-24-26-9-6-5-7-10-26;1-33-28-19-25(14-15-27(28)34-22-24-9-4-2-5-10-24)21-31(18-16-23-11-8-17-30-20-23)29(32)26-12-6-3-7-13-26;1-20(2)26(29)28(15-13-21-10-7-14-27-17-21)18-23-11-12-24(25(16-23)30-3)31-19-22-8-5-4-6-9-22/h5-17,19,21-22H,18,20,23-24H2,1-4H3;2,4-5,8-11,14-15,17,19-20,26H,3,6-7,12-13,16,18,21-22H2,1H3;4-12,14,16-17,20H,13,15,18-19H2,1-3H3.
What are the key properties of 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide?
4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide has a molecular weight of 1385.80 g/mol, XLogP of 17.57, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)benzamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(2-pyridin-3-ylethyl)propanamide;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-3-ylethyl)cyclohexanecarboxamide is sourced from PubChem (CID 157171642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).