N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

C25H20N2O3 — CID 25347204

IUPACN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1
InChIInChI=1S/C25H20N2O3/c1-16(23-14-17-8-2-7-13-22(17)30-23)26-24(28)15-27-20-11-5-3-9-18(20)25(29)19-10-4-6-12-21(19)27/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyDRPYAMBDCBIFEJ-INIZCTEOSA-N
MW396.45 g/mol
LogP4.78
Rot. Bonds4

About N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide

N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (PubChem CID 25347204) has the molecular formula C25H20N2O3 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
PubChem CID25347204
Molecular FormulaC25H20N2O3
Molecular Weight396.45 g/mol
Exact Mass396.15
IUPAC NameN-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
SMILESC[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1
InChIInChI=1S/C25H20N2O3/c1-16(23-14-17-8-2-7-13-22(17)30-23)26-24(28)15-27-20-11-5-3-9-18(20)25(29)19-10-4-6-12-21(19)27/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1
InChIKeyDRPYAMBDCBIFEJ-INIZCTEOSA-N
XLogP4.78
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-(1-benzofuran-2-yl)ethyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24609224
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(2-oxoquinoxalin-1-yl)acetamide
CID 41077979
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-3-(3-methyl-2-oxobenzimidazol-1-yl)propanamide
CID 26238936
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-2-[[(1S)-1-naphthalen-1-ylethyl]amino]acetamide
CID 8695538
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(1S)-1-(1-benzofuran-2-yl)ethyl]acetamide
CID 11930021
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(3-benzyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 9369720
N-[2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]amino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 9367319
N-[1-(4-fluorophenyl)ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 46550695
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(4-hydroxypiperidin-1-yl)acetamide
CID 51883476
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366962
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 9366960
N-(2-methyl-1-phenylpropyl)-2-(9-oxoacridin-10-yl)acetamide
CID 16606060

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The IUPAC name of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide (CID 25347204) is N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is C[C@H](NC(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1cc2ccccc2o1.
What is the InChIKey of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
The InChIKey is DRPYAMBDCBIFEJ-INIZCTEOSA-N. The full InChI is InChI=1S/C25H20N2O3/c1-16(23-14-17-8-2-7-13-22(17)30-23)26-24(28)15-27-20-11-5-3-9-18(20)25(29)19-10-4-6-12-21(19)27/h2-14,16H,15H2,1H3,(H,26,28)/t16-/m0/s1.
What are the key properties of N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide?
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide has a molecular weight of 396.45 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-(9-oxoacridin-10-yl)acetamide is sourced from PubChem (CID 25347204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).