N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide

C20H25NO4 — CID 78878842

IUPACN-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide
SMILESCCC(C)c1ccc(NC(=O)COc2ccccc2OCCO)cc1
InChIInChI=1S/C20H25NO4/c1-3-15(2)16-8-10-17(11-9-16)21-20(23)14-25-19-7-5-4-6-18(19)24-13-12-22/h4-11,15,22H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyKPTQQTBQFUAUFL-UHFFFAOYSA-N
MW343.42 g/mol
LogP3.59
Rot. Bonds9

About N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide

N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide (PubChem CID 78878842) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide
PubChem CID78878842
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC NameN-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide
SMILESCCC(C)c1ccc(NC(=O)COc2ccccc2OCCO)cc1
InChIInChI=1S/C20H25NO4/c1-3-15(2)16-8-10-17(11-9-16)21-20(23)14-25-19-7-5-4-6-18(19)24-13-12-22/h4-11,15,22H,3,12-14H2,1-2H3,(H,21,23)
InChIKeyKPTQQTBQFUAUFL-UHFFFAOYSA-N
XLogP3.59
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(2R)-butan-2-yl]phenyl]-2-naphthalen-1-yloxyacetamide
CID 7765844
[2-[4-[(2R)-butan-2-yl]anilino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 7844626
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-butoxyphenyl)acetamide
CID 9319776
2-[4-[(2S)-butan-2-yl]phenoxy]-N-(4-fluorophenyl)acetamide
CID 918574
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833563
2-(2-butan-2-ylphenoxy)-N-(4-fluorophenyl)acetamide
CID 2950014
2-[2-[(2R)-butan-2-yl]phenoxy]-N-(4-methylphenyl)acetamide
CID 833562
2-(2-butan-2-ylphenoxy)-N-(4-butoxyphenyl)acetamide
CID 4939634
2-[4-[(2R)-butan-2-yl]phenoxy]-N-(4-iodophenyl)acetamide
CID 1336727
N-(4-bromophenyl)-2-(4-butan-2-ylphenoxy)acetamide
CID 3431562
2-[2-[(2S)-butan-2-yl]phenoxy]-N-(4-methoxyphenyl)acetamide
CID 922510
N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7935639

Frequently Asked Questions

What is the IUPAC name of N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide?
The IUPAC name of N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide (CID 78878842) is N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide.
What is the SMILES notation for N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide?
The canonical SMILES for N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide is CCC(C)c1ccc(NC(=O)COc2ccccc2OCCO)cc1.
What is the InChIKey of N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide?
The InChIKey is KPTQQTBQFUAUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO4/c1-3-15(2)16-8-10-17(11-9-16)21-20(23)14-25-19-7-5-4-6-18(19)24-13-12-22/h4-11,15,22H,3,12-14H2,1-2H3,(H,21,23).
What are the key properties of N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide?
N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide has a molecular weight of 343.42 g/mol, XLogP of 3.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butan-2-ylphenyl)-2-[2-(2-hydroxyethoxy)phenoxy]acetamide is sourced from PubChem (CID 78878842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).