2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

C93H94N6O15 — CID 158948978

IUPAC2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2O)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2OC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O6.C31H30N2O5.C29H28N2O4/c1-37-29-18-25(13-14-28(29)41-23-24-10-6-5-7-11-24)22-35(17-15-27-12-8-9-16-34-27)32(36)21-26-19-30(38-2)33(40-4)31(20-26)39-3;1-23(34)38-28-14-7-6-13-27(28)31(35)33(19-17-26-12-8-9-18-32-26)21-25-15-16-29(30(20-25)36-2)37-22-24-10-4-3-5-11-24;1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-31(18-16-24-11-7-8-17-30-24)29(33)25-12-5-6-13-26(25)32/h5-14,16,18-20H,15,17,21-23H2,1-4H3;3-16,18,20H,17,19,21-22H2,1-2H3;2-15,17,19,32H,16,18,20-21H2,1H3
InChIKeyJLEKFSWPCGKINZ-UHFFFAOYSA-N
MW1535.80 g/mol
LogP16.25
Rot. Bonds35

About 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide

2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (PubChem CID 158948978) has the molecular formula C93H94N6O15 and a molecular weight of 1535.80 g/mol. Its IUPAC name is 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
PubChem CID158948978
Molecular FormulaC93H94N6O15
Molecular Weight1535.80 g/mol
Exact Mass1534.68
IUPAC Name2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
SMILESCOc1cc(CN(CCc2ccccn2)C(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2O)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2OC(C)=O)ccc1OCc1ccccc1
InChIInChI=1S/C33H36N2O6.C31H30N2O5.C29H28N2O4/c1-37-29-18-25(13-14-28(29)41-23-24-10-6-5-7-11-24)22-35(17-15-27-12-8-9-16-34-27)32(36)21-26-19-30(38-2)33(40-4)31(20-26)39-3;1-23(34)38-28-14-7-6-13-27(28)31(35)33(19-17-26-12-8-9-18-32-26)21-25-15-16-29(30(20-25)36-2)37-22-24-10-4-3-5-11-24;1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-31(18-16-24-11-7-8-17-30-24)29(33)25-12-5-6-13-26(25)32/h5-14,16,18-20H,15,17,21-23H2,1-4H3;3-16,18,20H,17,19,21-22H2,1-2H3;2-15,17,19,32H,16,18,20-21H2,1H3
InChIKeyJLEKFSWPCGKINZ-UHFFFAOYSA-N
XLogP16.25
TPSA229.20 Ų
H-Bond Donors1
H-Bond Acceptors18
Rotatable Bonds35
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001535.80
LogP ≤ 516.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

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

Analyze 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide with MolForge

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Related Compounds

2-(2-Methyl-pyridin-4-ylmethyl)-1-oxo-8-(pyridin-2-ylmethoxy)-4-(3,4,5-trimethoxy-phenyl)-1,2-dihydro-[2,7]naphthyridine-3-carboxylic acid methyl ester
CID 44314914
Methyl 2-[(2-methyl-4-pyridinyl)methyl]-1-oxo-8-(2-pyridin-2-ylethoxy)-4-(3,4,5-trimethoxyphenyl)-2,7-naphthyridine-3-carboxylate;hydrochloride
CID 45264635
1-(1-{2-Methoxy-4-[1-(2-methyl-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
CID 10507277
Methyl 7-[(2-methyl-4-pyridinyl)methyl]-8-oxo-2-(2-pyridin-2-ylethoxy)-5-(3,4,5-trimethoxyphenyl)-1,7-naphthyridine-6-carboxylate;hydrochloride
CID 45266037
5,7-dimethoxy-3-[3-[2-[(1E,4E)-3-oxo-5-pyridin-2-ylpenta-1,4-dienyl]phenoxy]propoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 145979255
2,4-dihydroxy-N-[4-(6-methoxy-3-methylquinolin-2-yl)phenyl]-N-(pyridin-3-ylmethyl)benzamide
CID 117972766
5,7-dimethoxy-3-[4-[4-[(1E,4E)-3-oxo-5-pyridin-2-ylpenta-1,4-dienyl]phenoxy]butoxy]-2-(3,4,5-trimethoxyphenyl)chromen-4-one
CID 145989167
N-[4-(4,5-dimethoxy-2-pyridinyl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 127024357
N-[4-(6-ethoxy-3-methylquinolin-2-yl)phenyl]-2,4-dihydroxy-N-(pyridin-3-ylmethyl)benzamide
CID 127034661
US11028064, Example 11
CID 153429828
Thalictrimine (C38 alkaloid), dihydrochloride
CID 76871804
Bisacodyl Tannex
CID 91663249

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The IUPAC name of 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide (CID 158948978) is 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide.
What is the SMILES notation for 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The canonical SMILES for 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is COc1cc(CN(CCc2ccccn2)C(=O)Cc2cc(OC)c(OC)c(OC)c2)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2O)ccc1OCc1ccccc1.COc1cc(CN(CCc2ccccn2)C(=O)c2ccccc2OC(C)=O)ccc1OCc1ccccc1.
What is the InChIKey of 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
The InChIKey is JLEKFSWPCGKINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36N2O6.C31H30N2O5.C29H28N2O4/c1-37-29-18-25(13-14-28(29)41-23-24-10-6-5-7-11-24)22-35(17-15-27-12-8-9-16-34-27)32(36)21-26-19-30(38-2)33(40-4)31(20-26)39-3;1-23(34)38-28-14-7-6-13-27(28)31(35)33(19-17-26-12-8-9-18-32-26)21-25-15-16-29(30(20-25)36-2)37-22-24-10-4-3-5-11-24;1-34-28-19-23(14-15-27(28)35-21-22-9-3-2-4-10-22)20-31(18-16-24-11-7-8-17-30-24)29(33)25-12-5-6-13-26(25)32/h5-14,16,18-20H,15,17,21-23H2,1-4H3;3-16,18,20H,17,19,21-22H2,1-2H3;2-15,17,19,32H,16,18,20-21H2,1H3.
What are the key properties of 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide?
2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide has a molecular weight of 1535.80 g/mol, XLogP of 16.25, 35 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)benzamide;[2-[(3-methoxy-4-phenylmethoxyphenyl)methyl-(2-pyridin-2-ylethyl)carbamoyl]phenyl] acetate;N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-(2-pyridin-2-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide is sourced from PubChem (CID 158948978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).