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

C22H29NO3 — CID 134249290

IUPAC2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide
SMILESCc1cc(OCC(=O)N(C)C)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H29NO3/c1-14(2)19-11-17(7-8-21(19)24)12-20-15(3)9-18(10-16(20)4)26-13-22(25)23(5)6/h7-11,14,24H,12-13H2,1-6H3
InChIKeyGQGVQCUOJACZSU-UHFFFAOYSA-N
MW355.48 g/mol
LogP4.19
Rot. Bonds6

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

2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide (PubChem CID 134249290) has the molecular formula C22H29NO3 and a molecular weight of 355.48 g/mol. Its IUPAC name is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide
PubChem CID134249290
Molecular FormulaC22H29NO3
Molecular Weight355.48 g/mol
Exact Mass355.21
IUPAC Name2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide
SMILESCc1cc(OCC(=O)N(C)C)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H29NO3/c1-14(2)19-11-17(7-8-21(19)24)12-20-15(3)9-18(10-16(20)4)26-13-22(25)23(5)6/h7-11,14,24H,12-13H2,1-6H3
InChIKeyGQGVQCUOJACZSU-UHFFFAOYSA-N
XLogP4.19
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Napropamide
CID 27189
Droloxifene
CID 3033767
Sobetirome
CID 9862248
Napropamide-M
CID 13013865
{4-[1-(4-Hydroxy-3-isopropyl-phenyl)-but-3-enyl]-3,5-dimethyl-phenoxy}-acetic acid
CID 9799416
4-[2-[2-(dimethylamino)ethoxy]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
CID 14065243
Acetamide, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-N,N-diethyl-
CID 86318
N,N-diethyl-2-(4-phenylphenoxy)acetamide
CID 717707
2-(3,4-Dimethylphenoxy)-1-morpholin-4-ylethanone
CID 834348
4-[4-[4-[2-(Dimethylamino)ethoxy]-3-methylphenyl]heptan-4-yl]-2-methylphenol
CID 137658509
4-[4-[4-[2-(Dimethylamino)ethoxy]-3-methylphenyl]heptan-4-yl]benzene-1,2-diol
CID 137661589
2-[4-[4-(4-hydroxy-3-methylphenyl)heptan-4-yl]-2-methylphenoxy]-N,N-dimethylacetamide
CID 155534195

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide (CID 134249290) is 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide is Cc1cc(OCC(=O)N(C)C)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,N-dimethylacetamide?
The InChIKey is GQGVQCUOJACZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO3/c1-14(2)19-11-17(7-8-21(19)24)12-20-15(3)9-18(10-16(20)4)26-13-22(25)23(5)6/h7-11,14,24H,12-13H2,1-6H3.
What are the key properties of 2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide?
2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]-N,N-dimethylacetamide has a molecular weight of 355.48 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 3 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,N-dimethylacetamide is sourced from PubChem (CID 134249290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).