N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide

C21H27NO4 — CID 123574671

IUPACN-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
SMILESCCOCCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C21H27NO4/c1-4-25-12-11-22-20(24)10-5-17-13-15(2)21(16(3)14-17)26-19-8-6-18(23)7-9-19/h6-9,13-14,23H,4-5,10-12H2,1-3H3,(H,22,24)
InChIKeyMIWNBIFQYWAEMS-UHFFFAOYSA-N
MW357.45 g/mol
LogP3.89
Rot. Bonds9

About N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide

N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide (PubChem CID 123574671) has the molecular formula C21H27NO4 and a molecular weight of 357.45 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
PubChem CID123574671
Molecular FormulaC21H27NO4
Molecular Weight357.45 g/mol
Exact Mass357.19
IUPAC NameN-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
SMILESCCOCCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C21H27NO4/c1-4-25-12-11-22-20(24)10-5-17-13-15(2)21(16(3)14-17)26-19-8-6-18(23)7-9-19/h6-9,13-14,23H,4-5,10-12H2,1-3H3,(H,22,24)
InChIKeyMIWNBIFQYWAEMS-UHFFFAOYSA-N
XLogP3.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
CID 123425395
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylpropanamide
CID 123525070
ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfanylpropanamide
CID 144504663
ethane;N-ethyl-2-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]acetamide
CID 144504805
ethane;N-[3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propyl]-3-morpholin-4-ylpropanamide
CID 144504755
N-(2-hydroxyethyl)-3-[3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]propanamide
CID 123902032
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
ethane;3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfinylpropanamide;3-[3-(4-hydroxyphenoxy)-2,4-dimethylphenyl]propanoic acid
CID 144504839
3-[4-(4-methoxyphenoxy)-3,5-dimethylphenyl]-N-methylsulfonylpropanamide
CID 123164997
N-(3-ethoxypropyl)-3-(4-ethylphenyl)propanamide
CID 78794718
2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propanoic acid
CID 123414444
N-benzyl-5-[2-ethyl-4-[3-(2-hydroxyethylamino)-3-oxopropyl]-6-methylphenoxy]-2-hydroxybenzamide
CID 123373893

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide?
The IUPAC name of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide (CID 123574671) is N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide.
What is the SMILES notation for N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide?
The canonical SMILES for N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide is CCOCCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.
What is the InChIKey of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide?
The InChIKey is MIWNBIFQYWAEMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO4/c1-4-25-12-11-22-20(24)10-5-17-13-15(2)21(16(3)14-17)26-19-8-6-18(23)7-9-19/h6-9,13-14,23H,4-5,10-12H2,1-3H3,(H,22,24).
What are the key properties of N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide?
N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide has a molecular weight of 357.45 g/mol, XLogP of 3.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide is sourced from PubChem (CID 123574671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).