N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide

C28H29N3O5 — CID 87554542

IUPACN-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
SMILESCCOCCc1cccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc12
InChIInChI=1S/C28H29N3O5/c1-2-34-16-14-20-6-5-9-26-23(20)18-27(36-26)31(19-32)15-17-35-22-12-10-21(11-13-22)28(33)30-25-8-4-3-7-24(25)29/h3-13,18-19H,2,14-17,29H2,1H3,(H,30,33)
InChIKeyMUZYKUBDCQLBEB-UHFFFAOYSA-N
MW487.56 g/mol
LogP4.89
Rot. Bonds12

About N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide

N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide (PubChem CID 87554542) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
PubChem CID87554542
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC NameN-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
SMILESCCOCCc1cccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc12
InChIInChI=1S/C28H29N3O5/c1-2-34-16-14-20-6-5-9-26-23(20)18-27(36-26)31(19-32)15-17-35-22-12-10-21(11-13-22)28(33)30-25-8-4-3-7-24(25)29/h3-13,18-19H,2,14-17,29H2,1H3,(H,30,33)
InChIKeyMUZYKUBDCQLBEB-UHFFFAOYSA-N
XLogP4.89
TPSA107.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.56
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[2-[formyl-[4-(2-phenylethyl)-1-benzofuran-2-yl]amino]ethoxy]benzamide
CID 87554590
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-aminophenyl)-4-[2-[[5-[(benzylamino)methyl]-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
CID 87554535
N-(2-aminophenyl)-4-[3-[formyl-[3-(methoxymethyl)-1-benzofuran-2-yl]amino]propoxy]benzamide
CID 87554238
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-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide
CID 87554069
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
CID 87553933
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-4-(triazin-4-ylmethyl)-1-benzofuran-2-carboxamide
CID 68736080
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-[(2-hydroxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 68734084
N-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68735071
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-7-fluoro-N-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 68771472

Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide?
The IUPAC name of N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide (CID 87554542) is N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide.
What is the SMILES notation for N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide?
The canonical SMILES for N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide is CCOCCc1cccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc12.
What is the InChIKey of N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide?
The InChIKey is MUZYKUBDCQLBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-2-34-16-14-20-6-5-9-26-23(20)18-27(36-26)31(19-32)15-17-35-22-12-10-21(11-13-22)28(33)30-25-8-4-3-7-24(25)29/h3-13,18-19H,2,14-17,29H2,1H3,(H,30,33).
What are the key properties of N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide?
N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide has a molecular weight of 487.56 g/mol, XLogP of 4.89, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-4-[2-[[4-(2-ethoxyethyl)-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide is sourced from PubChem (CID 87554542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).