2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride

C24H27ClN2O4 — CID 117077194

IUPAC2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride
SMILESCOc1cccc(CN(CCCO)C(=O)C(O)c2ccc(-c3ccncc3)cc2)c1.Cl
InChIInChI=1S/C24H26N2O4.ClH/c1-30-22-5-2-4-18(16-22)17-26(14-3-15-27)24(29)23(28)21-8-6-19(7-9-21)20-10-12-25-13-11-20;/h2,4-13,16,23,27-28H,3,14-15,17H2,1H3;1H
InChIKeyIFRNDYYDIWUNRO-UHFFFAOYSA-N
MW442.94 g/mol
LogP3.62
Rot. Bonds9

About 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride

2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride (PubChem CID 117077194) has the molecular formula C24H27ClN2O4 and a molecular weight of 442.94 g/mol. Its IUPAC name is 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride
PubChem CID117077194
Molecular FormulaC24H27ClN2O4
Molecular Weight442.94 g/mol
Exact Mass442.17
IUPAC Name2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride
SMILESCOc1cccc(CN(CCCO)C(=O)C(O)c2ccc(-c3ccncc3)cc2)c1.Cl
InChIInChI=1S/C24H26N2O4.ClH/c1-30-22-5-2-4-18(16-22)17-26(14-3-15-27)24(29)23(28)21-8-6-19(7-9-21)20-10-12-25-13-11-20;/h2,4-13,16,23,27-28H,3,14-15,17H2,1H3;1H
InChIKeyIFRNDYYDIWUNRO-UHFFFAOYSA-N
XLogP3.62
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.94
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 117077196
N-(2-methoxyethyl)-N-[(3-methoxyphenyl)methyl]-2-methylpropanamide
CID 22954099
N-[3-(dimethylamino)propyl]-N-[[3-[2-[(3-methoxyphenyl)methyl-(6-pyridin-4-yl-1H-indole-2-carbonyl)amino]ethoxy]phenyl]methyl]-6-pyridin-4-yl-1H-indole-2-carboxamide
CID 123712682
6-[(3-methoxyphenyl)methyl-methylamino]hexan-1-ol
CID 103737738
N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-7-pyridin-4-ylimidazo[1,2-a]pyridine-3-carboxamide
CID 67108105
1-(3-methoxyphenyl)-3-pyridin-4-ylpropan-2-ol
CID 62608080
4-(3-methoxyphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)benzamide
CID 77093047
N-[(3-methoxyphenyl)methyl]-N-(3-methoxypropyl)-3-methylthiophene-2-carboxamide
CID 131946745
(2R)-2-amino-N-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-3-[4-(1H-pyrazol-4-yl)phenyl]propanamide
CID 117077630
N-[3-[(3-methoxyphenyl)methyl-methylamino]propyl]-2-(4-methylphenyl)propanamide
CID 71105768
1-(3-aminopropyl)-3-[2-(3-hydroxypropoxy)-4-(1H-pyrazol-4-yl)phenyl]-1-[(3-methoxyphenyl)methyl]urea
CID 68564066
(2S)-2-amino-N-ethyl-N-[(3-methoxyphenyl)methyl]-3-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride (CID 117077194) is 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride is COc1cccc(CN(CCCO)C(=O)C(O)c2ccc(-c3ccncc3)cc2)c1.Cl.
What is the InChIKey of 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride?
The InChIKey is IFRNDYYDIWUNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4.ClH/c1-30-22-5-2-4-18(16-22)17-26(14-3-15-27)24(29)23(28)21-8-6-19(7-9-21)20-10-12-25-13-11-20;/h2,4-13,16,23,27-28H,3,14-15,17H2,1H3;1H.
What are the key properties of 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride?
2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride has a molecular weight of 442.94 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-(3-hydroxypropyl)-N-[(3-methoxyphenyl)methyl]-2-(4-pyridin-4-ylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 117077194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).