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

C22H29NO4 — CID 134249284

IUPACN-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)NCCO)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H29NO4/c1-14(2)19-11-17(5-6-21(19)25)12-20-15(3)9-18(10-16(20)4)27-13-22(26)23-7-8-24/h5-6,9-11,14,24-25H,7-8,12-13H2,1-4H3,(H,23,26)
InChIKeyPWIPVHOWHJIKLB-UHFFFAOYSA-N
MW371.48 g/mol
LogP3.21
Rot. Bonds8

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

N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (PubChem CID 134249284) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
PubChem CID134249284
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC NameN-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide
SMILESCc1cc(OCC(=O)NCCO)cc(C)c1Cc1ccc(O)c(C(C)C)c1
InChIInChI=1S/C22H29NO4/c1-14(2)19-11-17(5-6-21(19)25)12-20-15(3)9-18(10-16(20)4)27-13-22(26)23-7-8-24/h5-6,9-11,14,24-25H,7-8,12-13H2,1-4H3,(H,23,26)
InChIKeyPWIPVHOWHJIKLB-UHFFFAOYSA-N
XLogP3.21
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 53.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The IUPAC name of N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide (CID 134249284) is N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is Cc1cc(OCC(=O)NCCO)cc(C)c1Cc1ccc(O)c(C(C)C)c1.
What is the InChIKey of N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
The InChIKey is PWIPVHOWHJIKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-14(2)19-11-17(5-6-21(19)25)12-20-15(3)9-18(10-16(20)4)27-13-22(26)23-7-8-24/h5-6,9-11,14,24-25H,7-8,12-13H2,1-4H3,(H,23,26).
What are the key properties of N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide?
N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide has a molecular weight of 371.48 g/mol, XLogP of 3.21, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-[4-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-3,5-dimethylphenoxy]acetamide is sourced from PubChem (CID 134249284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).