(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide

C26H29NO3 — CID 40563834

IUPAC(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-2-6-20-11-15-24(16-12-20)30-18-17-27-26(29)25(22-7-4-3-5-8-22)19-21-9-13-23(28)14-10-21/h3-5,7-16,25,28H,2,6,17-19H2,1H3,(H,27,29)/t25-/m1/s1
InChIKeyLMDAUOPQDFCWRD-RUZDIDTESA-N
MW403.52 g/mol
LogP4.87
Rot. Bonds10

About (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide

(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide (PubChem CID 40563834) has the molecular formula C26H29NO3 and a molecular weight of 403.52 g/mol. Its IUPAC name is (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide.

Molecular Properties

Compound Name(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
PubChem CID40563834
Molecular FormulaC26H29NO3
Molecular Weight403.52 g/mol
Exact Mass403.21
IUPAC Name(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide
SMILESCCCc1ccc(OCCNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)cc1
InChIInChI=1S/C26H29NO3/c1-2-6-20-11-15-24(16-12-20)30-18-17-27-26(29)25(22-7-4-3-5-8-22)19-21-9-13-23(28)14-10-21/h3-5,7-16,25,28H,2,6,17-19H2,1H3,(H,27,29)/t25-/m1/s1
InChIKeyLMDAUOPQDFCWRD-RUZDIDTESA-N
XLogP4.87
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.52
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(4-butoxyphenyl)-2-(4-hydroxyphenyl)propanoic acid
CID 83951930
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpentanamide
CID 140983186
N-[2-(4-hydroxyphenyl)ethyl]-2-phenylbutanamide
CID 61018971
2-(4-phenylphenyl)-N-[2-(4-propylphenoxy)ethyl]acetamide
CID 100517253
2-(4-butoxyphenyl)-N-hydroxy-3-phenylpropanamide
CID 53315833
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
1-methyl-3-[2-(4-propylphenoxy)ethyl]urea
CID 70468541
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]propanamide
CID 133239751
2-naphthalen-2-yloxy-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133240086
2-(2-methylphenoxy)-N-[2-(4-propylphenoxy)ethyl]butanamide
CID 133239906
3-(4-ethoxyphenyl)-2-phenylpropanoic acid
CID 20994053
(2R)-N-(2-naphthalen-1-yloxyethyl)-2,3-diphenylpropanamide
CID 27154473

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
The IUPAC name of (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide (CID 40563834) is (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide.
What is the SMILES notation for (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
The canonical SMILES for (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide is CCCc1ccc(OCCNC(=O)[C@H](Cc2ccc(O)cc2)c2ccccc2)cc1.
What is the InChIKey of (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
The InChIKey is LMDAUOPQDFCWRD-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29NO3/c1-2-6-20-11-15-24(16-12-20)30-18-17-27-26(29)25(22-7-4-3-5-8-22)19-21-9-13-23(28)14-10-21/h3-5,7-16,25,28H,2,6,17-19H2,1H3,(H,27,29)/t25-/m1/s1.
What are the key properties of (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide?
(2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide has a molecular weight of 403.52 g/mol, XLogP of 4.87, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(4-hydroxyphenyl)-2-phenyl-N-[2-(4-propylphenoxy)ethyl]propanamide is sourced from PubChem (CID 40563834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).