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

C23H31NO4 — CID 134249286

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C23H31NO4/c1-14(2)20-10-18(6-7-22(20)26)11-21-15(3)8-19(9-16(21)4)28-13-23(27)24-12-17(5)25/h6-10,14,17,25-26H,11-13H2,1-5H3,(H,24,27)
InChIKeySDVGWUWEPQCYIM-UHFFFAOYSA-N
MW385.50 g/mol
LogP3.60
Rot. Bonds8

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

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide (PubChem CID 134249286) has the molecular formula C23H31NO4 and a molecular weight of 385.50 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide
PubChem CID134249286
Molecular FormulaC23H31NO4
Molecular Weight385.50 g/mol
Exact Mass385.23
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide
SMILESCc1cc(OCC(=O)NCC(C)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C23H31NO4/c1-14(2)20-10-18(6-7-22(20)26)11-21-15(3)8-19(9-16(21)4)28-13-23(27)24-12-17(5)25/h6-10,14,17,25-26H,11-13H2,1-5H3,(H,24,27)
InChIKeySDVGWUWEPQCYIM-UHFFFAOYSA-N
XLogP3.60
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.50
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

Ritobegron
CID 9820882
Cifea
CID 53238181
N-Ethyl-2-[(naphthalen-1-yl)oxy]propanamide
CID 17650443
Bedoradrine
CID 9963057
N-[2-(7-Phenyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 22004862
N-[2-(7-Benzyl-1,6-dihydro-2H-indeno[5,4-b]furan-8-yl)-ethyl]acetamide
CID 53237951
N-[2-[7-(2-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238186
N-[2-[7-(3-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238407
N-[2-[7-(4-methoxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238408
N-[2-[7-(2-propan-2-yloxyphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238409
N-[2-[7-(3-propan-2-ylphenyl)-2,6-dihydro-1H-cyclopenta[e][1]benzofuran-8-yl]ethyl]acetamide
CID 53238410
N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide (CID 134249286) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide is Cc1cc(OCC(=O)NCC(C)O)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide?
The InChIKey is SDVGWUWEPQCYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO4/c1-14(2)20-10-18(6-7-22(20)26)11-21-15(3)8-19(9-16(21)4)28-13-23(27)24-12-17(5)25/h6-10,14,17,25-26H,11-13H2,1-5H3,(H,24,27).
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide has a molecular weight of 385.50 g/mol, XLogP of 3.60, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N-(2-hydroxypropyl)acetamide is sourced from PubChem (CID 134249286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).