N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

C26H29NO4 — CID 134249335

IUPACN-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C26H29NO4/c1-16(2)21-13-19(9-10-24(21)28)14-22-17(3)11-20(12-18(22)4)31-15-26(30)27-23-7-5-6-8-25(23)29/h5-13,16,28-29H,14-15H2,1-4H3,(H,27,30)
InChIKeyMKBIKOPYNPPUMH-UHFFFAOYSA-N
MW419.52 g/mol
LogP5.45
Rot. Bonds7

About N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide

N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (PubChem CID 134249335) has the molecular formula C26H29NO4 and a molecular weight of 419.52 g/mol. Its IUPAC name is N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
PubChem CID134249335
Molecular FormulaC26H29NO4
Molecular Weight419.52 g/mol
Exact Mass419.21
IUPAC NameN-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)Nc2ccccc2O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C26H29NO4/c1-16(2)21-13-19(9-10-24(21)28)14-22-17(3)11-20(12-18(22)4)31-15-26(30)27-23-7-5-6-8-25(23)29/h5-13,16,28-29H,14-15H2,1-4H3,(H,27,30)
InChIKeyMKBIKOPYNPPUMH-UHFFFAOYSA-N
XLogP5.45
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.52
LogP ≤ 55.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Hydroxy-2-naphtho-o-phenetidide
CID 66716
Naproanilide
CID 40413
2-(2-(tert-Butyl)phenoxy)-N-(4-hydroxyphenyl)acetamide
CID 2975850
N-[4-(4-Hydroxy-3-isopropyl-phenoxy)-3,5-dimethyl-phenyl]-oxalamic acid ethyl ester
CID 9929348
6-[(~{e})-(3-Fluoranyl-6~{h}-Benzo[c][1]benzoxepin-11-Ylidene)methyl]-4~{h}-1,4-Benzoxazin-3-One
CID 118796369
Benzyl 2-[4-(4-hydroxy-3-propan-2-ylphenoxy)-3,5-dimethylanilino]-2-oxoacetate
CID 9910728
2-(3,4-dimethylphenoxy)-N-(2-fluorophenyl)acetamide
CID 723386
2-(2-methylphenoxy)-N-(2-phenylphenyl)acetamide
CID 879266
N-(4-acetamidophenyl)-2-(4-phenylphenoxy)acetamide
CID 1015551
N-(2-methoxyphenyl)-2-naphthalen-2-yloxyacetamide
CID 1717965
2-(4-benzoylphenoxy)-N-(2-hydroxy-4-methylphenyl)acetamide
CID 9495377
2-(2,6-dimethylphenoxy)-N-(2-hydroxyphenyl)acetamide
CID 2879149

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The IUPAC name of N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (CID 134249335) is N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The canonical SMILES for N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is Cc1cc(OCC(=O)Nc2ccccc2O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The InChIKey is MKBIKOPYNPPUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29NO4/c1-16(2)21-13-19(9-10-24(21)28)14-22-17(3)11-20(12-18(22)4)31-15-26(30)27-23-7-5-6-8-25(23)29/h5-13,16,28-29H,14-15H2,1-4H3,(H,27,30).
What are the key properties of N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide has a molecular weight of 419.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyphenyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is sourced from PubChem (CID 134249335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).