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

C22H29NO4 — CID 123425395

IUPAC3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
SMILESCCCOCCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C22H29NO4/c1-4-12-26-13-11-23-21(25)10-5-18-14-16(2)22(17(3)15-18)27-20-8-6-19(24)7-9-20/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeySAGXERVGIAODEO-UHFFFAOYSA-N
MW371.48 g/mol
LogP4.28
Rot. Bonds10

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

3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide (PubChem CID 123425395) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide.

Molecular Properties

Compound Name3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
PubChem CID123425395
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide
SMILESCCCOCCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1
InChIInChI=1S/C22H29NO4/c1-4-12-26-13-11-23-21(25)10-5-18-14-16(2)22(17(3)15-18)27-20-8-6-19(24)7-9-20/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,23,25)
InChIKeySAGXERVGIAODEO-UHFFFAOYSA-N
XLogP4.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.28
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

N-(2-ethoxyethyl)-3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]propanamide
CID 123574671
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-[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-(2-propoxyethoxy)ethyl]butanamide
CID 88853938
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-[2-(2-butoxyethoxy)ethyl]-3-(4-propan-2-yloxyphenyl)propanamide
CID 134270850
N-[2-(4-ethoxyphenyl)ethyl]-3-(4-hydroxyphenyl)propanamide
CID 174483925
2-amino-3-[3-ethyl-4-(4-hydroxyphenoxy)-5-methylphenyl]propanoic acid
CID 123414444
5-[4-[2-[4-(4-hydroxy-3-methylphenoxy)-3,5-dimethylphenyl]ethyl]piperidin-1-yl]-5-oxo-N-[2-(3-oxopropoxy)ethyl]pentanamide
CID 177015531

Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide?
The IUPAC name of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide (CID 123425395) is 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide.
What is the SMILES notation for 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide?
The canonical SMILES for 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide is CCCOCCNC(=O)CCc1cc(C)c(Oc2ccc(O)cc2)c(C)c1.
What is the InChIKey of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide?
The InChIKey is SAGXERVGIAODEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29NO4/c1-4-12-26-13-11-23-21(25)10-5-18-14-16(2)22(17(3)15-18)27-20-8-6-19(24)7-9-20/h6-9,14-15,24H,4-5,10-13H2,1-3H3,(H,23,25).
What are the key properties of 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide?
3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide has a molecular weight of 371.48 g/mol, XLogP of 4.28, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-hydroxyphenoxy)-3,5-dimethylphenyl]-N-(2-propoxyethyl)propanamide is sourced from PubChem (CID 123425395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).