N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide

C22H23NO5 — CID 9017734

IUPACN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1
InChIInChI=1S/C22H23NO5/c1-3-10-26-18-9-8-17(13-24)21(12-18)27-14-22(25)23-15(2)20-11-16-6-4-5-7-19(16)28-20/h4-9,11-13,15H,3,10,14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyXSJWKERRVVEDIA-OAHLLOKOSA-N
MW381.43 g/mol
LogP4.29
Rot. Bonds9

About N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide

N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide (PubChem CID 9017734) has the molecular formula C22H23NO5 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide
PubChem CID9017734
Molecular FormulaC22H23NO5
Molecular Weight381.43 g/mol
Exact Mass381.16
IUPAC NameN-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide
SMILESCCCOc1ccc(C=O)c(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1
InChIInChI=1S/C22H23NO5/c1-3-10-26-18-9-8-17(13-24)21(12-18)27-14-22(25)23-15(2)20-11-16-6-4-5-7-19(16)28-20/h4-9,11-13,15H,3,10,14H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyXSJWKERRVVEDIA-OAHLLOKOSA-N
XLogP4.29
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide?
The IUPAC name of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide (CID 9017734) is N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide.
What is the SMILES notation for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide?
The canonical SMILES for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide is CCCOc1ccc(C=O)c(OCC(=O)N[C@H](C)c2cc3ccccc3o2)c1.
What is the InChIKey of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide?
The InChIKey is XSJWKERRVVEDIA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H23NO5/c1-3-10-26-18-9-8-17(13-24)21(12-18)27-14-22(25)23-15(2)20-11-16-6-4-5-7-19(16)28-20/h4-9,11-13,15H,3,10,14H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide?
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide has a molecular weight of 381.43 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-(2-formyl-5-propoxyphenoxy)acetamide is sourced from PubChem (CID 9017734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).