N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide

C25H23N3O5 — CID 87553933

IUPACN-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
SMILESCON(CCOc1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C25H23N3O5/c1-31-28(25(30)23-16-18-6-2-5-9-22(18)33-23)14-15-32-19-12-10-17(11-13-19)24(29)27-21-8-4-3-7-20(21)26/h2-13,16H,14-15,26H2,1H3,(H,27,29)
InChIKeyHVDZPFGBCQFCGX-UHFFFAOYSA-N
MW445.48 g/mol
LogP4.35
Rot. Bonds8

About N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide

N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide (PubChem CID 87553933) has the molecular formula C25H23N3O5 and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
PubChem CID87553933
Molecular FormulaC25H23N3O5
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC NameN-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
SMILESCON(CCOc1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)c1cc2ccccc2o1
InChIInChI=1S/C25H23N3O5/c1-31-28(25(30)23-16-18-6-2-5-9-22(18)33-23)14-15-32-19-12-10-17(11-13-19)24(29)27-21-8-4-3-7-20(21)26/h2-13,16H,14-15,26H2,1H3,(H,27,29)
InChIKeyHVDZPFGBCQFCGX-UHFFFAOYSA-N
XLogP4.35
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68735071
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-[(2-hydroxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 68734084
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-7-fluoro-N-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 68771472
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-6-methyl-N-(piperazin-1-ylmethyl)-1-benzofuran-2-carboxamide
CID 68734788
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]-1-benzofuran-2-carboxamide;methanesulfonic acid
CID 71476314
N-(2-aminophenyl)-4-[2-[(5-ethyl-1-benzofuran-2-yl)-formylamino]ethoxy]benzamide;N-(2-aminophenyl)-4-[2-[formyl-(5-propyl-1-benzofuran-2-yl)amino]ethoxy]benzamide
CID 87554860
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-6-(trifluoromethoxymethyl)-1-benzofuran-2-carboxamide
CID 68733776
N-(2-aminophenyl)-4-[2-[[5-[(benzylamino)methyl]-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
CID 87554535
N-[2-[(4-propoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480810
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 68733651
N-(2-aminophenyl)-4-[3-[formyl-[3-(methoxymethyl)-1-benzofuran-2-yl]amino]propoxy]benzamide
CID 87554238

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide (CID 87553933) is N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide is CON(CCOc1ccc(C(=O)Nc2ccccc2N)cc1)C(=O)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide?
The InChIKey is HVDZPFGBCQFCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O5/c1-31-28(25(30)23-16-18-6-2-5-9-22(18)33-23)14-15-32-19-12-10-17(11-13-19)24(29)27-21-8-4-3-7-20(21)26/h2-13,16H,14-15,26H2,1H3,(H,27,29).
What are the key properties of N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide?
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide is sourced from PubChem (CID 87553933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).