N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide

C30H32N4O6 — CID 87554069

IUPACN-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(OCCN(C=O)c2oc3ccccc3c2OCCC2CNCCO2)cc1
InChIInChI=1S/C30H32N4O6/c31-25-6-2-3-7-26(25)33-29(36)21-9-11-22(12-10-21)38-18-15-34(20-35)30-28(24-5-1-4-8-27(24)40-30)39-16-13-23-19-32-14-17-37-23/h1-12,20,23,32H,13-19,31H2,(H,33,36)
InChIKeyDKNORAWJATVCSW-UHFFFAOYSA-N
MW544.61 g/mol
LogP4.07
Rot. Bonds12

About N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide

N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide (PubChem CID 87554069) has the molecular formula C30H32N4O6 and a molecular weight of 544.61 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide
PubChem CID87554069
Molecular FormulaC30H32N4O6
Molecular Weight544.61 g/mol
Exact Mass544.23
IUPAC NameN-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide
SMILESNc1ccccc1NC(=O)c1ccc(OCCN(C=O)c2oc3ccccc3c2OCCC2CNCCO2)cc1
InChIInChI=1S/C30H32N4O6/c31-25-6-2-3-7-26(25)33-29(36)21-9-11-22(12-10-21)38-18-15-34(20-35)30-28(24-5-1-4-8-27(24)40-30)39-16-13-23-19-32-14-17-37-23/h1-12,20,23,32H,13-19,31H2,(H,33,36)
InChIKeyDKNORAWJATVCSW-UHFFFAOYSA-N
XLogP4.07
TPSA128.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.61
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide 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-(2-aminophenyl)-4-[2-[formyl-[3-(1,3,5-triazin-2-ylmethyl)-1-benzofuran-2-yl]amino]ethoxy]benzamide
CID 87554276
N-(2-aminophenyl)-4-[3-[formyl-[3-(methoxymethyl)-1-benzofuran-2-yl]amino]propoxy]benzamide
CID 87554238
N-(2-aminophenyl)-4-[2-[formyl-[4-(2-phenylethyl)-1-benzofuran-2-yl]amino]ethoxy]benzamide
CID 87554590
N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
CID 87554542
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 68734155
N-(2-aminophenyl)-4-[2-[[5-[(benzylamino)methyl]-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
CID 87554535
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]-N-methoxy-1-benzofuran-2-carboxamide
CID 87553933
N-methyl-2-morpholin-2-yl-N-(2-phenoxyethyl)acetamide;hydrochloride
CID 119680862
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68735071
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-6-methyl-N-(piperazin-1-ylmethyl)-1-benzofuran-2-carboxamide
CID 68734788
2-[2-(4-methylphenoxy)ethyl]morpholine
CID 54402236

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide (CID 87554069) is N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide is Nc1ccccc1NC(=O)c1ccc(OCCN(C=O)c2oc3ccccc3c2OCCC2CNCCO2)cc1.
What is the InChIKey of N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide?
The InChIKey is DKNORAWJATVCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N4O6/c31-25-6-2-3-7-26(25)33-29(36)21-9-11-22(12-10-21)38-18-15-34(20-35)30-28(24-5-1-4-8-27(24)40-30)39-16-13-23-19-32-14-17-37-23/h1-12,20,23,32H,13-19,31H2,(H,33,36).
What are the key properties of N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide?
N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide has a molecular weight of 544.61 g/mol, XLogP of 4.07, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide is sourced from PubChem (CID 87554069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).