4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

C29H34N2O3 — CID 57344870

IUPAC4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4ccc(O)cc4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C29H34N2O3/c1-28(2)17-24(18-29(3,4)31-28)30-27(33)22-10-8-20(9-11-22)19-34-26-7-5-6-23(16-26)21-12-14-25(32)15-13-21/h5-16,24,31-32H,17-19H2,1-4H3,(H,30,33)
InChIKeyDNZRMSFPPMDOBJ-UHFFFAOYSA-N
MW458.60 g/mol
LogP5.68
Rot. Bonds6

About 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide

4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (PubChem CID 57344870) has the molecular formula C29H34N2O3 and a molecular weight of 458.60 g/mol. Its IUPAC name is 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
PubChem CID57344870
Molecular FormulaC29H34N2O3
Molecular Weight458.60 g/mol
Exact Mass458.26
IUPAC Name4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
SMILESCC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4ccc(O)cc4)c3)cc2)CC(C)(C)N1
InChIInChI=1S/C29H34N2O3/c1-28(2)17-24(18-29(3,4)31-28)30-27(33)22-10-8-20(9-11-22)19-34-26-7-5-6-23(16-26)21-12-14-25(32)15-13-21/h5-16,24,31-32H,17-19H2,1-4H3,(H,30,33)
InChIKeyDNZRMSFPPMDOBJ-UHFFFAOYSA-N
XLogP5.68
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.60
LogP ≤ 55.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide with MolForge

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Related Compounds

4-[(3-pyrimidin-5-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344867
4-[(3-piperazin-1-ylphenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679298
4-[[3-(6-amino-3-pyridinyl)phenyl]methoxy]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 57344445
1-[4-[(3-pyridin-3-ylphenoxy)methyl]phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)ethanone
CID 159234890
3-bromo-4-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679171
1-N,3-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,3-dicarboxamide
CID 158461970
2-(phenoxymethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 35945918
5-[(3-fluorophenoxy)methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1H-pyrazole-3-carboxamide
CID 56740922
4-anilino-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679426
N-cyclohexyl-4-(phenoxymethyl)benzamide
CID 40606245
4-pyridin-4-yloxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 67679480
4-methylsulfonyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide
CID 17425450

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The IUPAC name of 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide (CID 57344870) is 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide.
What is the SMILES notation for 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The canonical SMILES for 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is CC1(C)CC(NC(=O)c2ccc(COc3cccc(-c4ccc(O)cc4)c3)cc2)CC(C)(C)N1.
What is the InChIKey of 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
The InChIKey is DNZRMSFPPMDOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N2O3/c1-28(2)17-24(18-29(3,4)31-28)30-27(33)22-10-8-20(9-11-22)19-34-26-7-5-6-23(16-26)21-12-14-25(32)15-13-21/h5-16,24,31-32H,17-19H2,1-4H3,(H,30,33).
What are the key properties of 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide?
4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide has a molecular weight of 458.60 g/mol, XLogP of 5.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(4-hydroxyphenyl)phenoxy]methyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzamide is sourced from PubChem (CID 57344870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).