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

C53H52N6O8 — CID 87554860

IUPACN-(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
SMILESCCCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.CCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1
InChIInChI=1S/C27H27N3O4.C26H25N3O4/c1-2-5-19-8-13-25-21(16-19)17-26(34-25)30(18-31)14-15-33-22-11-9-20(10-12-22)27(32)29-24-7-4-3-6-23(24)28;1-2-18-7-12-24-20(15-18)16-25(33-24)29(17-30)13-14-32-21-10-8-19(9-11-21)26(31)28-23-6-4-3-5-22(23)27/h3-4,6-13,16-18H,2,5,14-15,28H2,1H3,(H,29,32);3-12,15-17H,2,13-14,27H2,1H3,(H,28,31)
InChIKeyDMGYEFGFIIAVMD-UHFFFAOYSA-N
MW901.03 g/mol
LogP10.13
Rot. Bonds19

About 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

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 (PubChem CID 87554860) has the molecular formula C53H52N6O8 and a molecular weight of 901.03 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID87554860
Molecular FormulaC53H52N6O8
Molecular Weight901.03 g/mol
Exact Mass900.38
IUPAC NameN-(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
SMILESCCCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.CCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1
InChIInChI=1S/C27H27N3O4.C26H25N3O4/c1-2-5-19-8-13-25-21(16-19)17-26(34-25)30(18-31)14-15-33-22-11-9-20(10-12-22)27(32)29-24-7-4-3-6-23(24)28;1-2-18-7-12-24-20(15-18)16-25(33-24)29(17-30)13-14-32-21-10-8-19(9-11-21)26(31)28-23-6-4-3-5-22(23)27/h3-4,6-13,16-18H,2,5,14-15,28H2,1H3,(H,29,32);3-12,15-17H,2,13-14,27H2,1H3,(H,28,31)
InChIKeyDMGYEFGFIIAVMD-UHFFFAOYSA-N
XLogP10.13
TPSA195.60 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms67
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500901.03
LogP ≤ 510.13
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-(2-aminophenyl)-4-[2-[[5-[(benzylamino)methyl]-1-benzofuran-2-yl]-formylamino]ethoxy]benzamide
CID 87554535
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-(2-propoxyethyl)-1-benzofuran-2-carboxamide
CID 140557054
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-N-methoxy-1-benzofuran-2-carboxamide
CID 87553933
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-[3-[4-[(2-aminophenyl)carbamoyl]phenoxy]propyl]-N-(trifluoromethyl)-1-benzofuran-2-carboxamide
CID 68735071
N-(2-aminophenyl)-4-[2-[formyl-[3-(2-morpholin-2-ylethoxy)-1-benzofuran-2-yl]amino]ethoxy]benzamide
CID 87554069
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]-5-(morpholin-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 68734155
N-[2-[4-[(2-aminophenyl)carbamoyl]phenoxy]ethyl]-5-(2-pyrrolidin-1-ylethoxy)-1-benzofuran-2-carboxamide
CID 68733651

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.CCc1ccc2oc(N(C=O)CCOc3ccc(C(=O)Nc4ccccc4N)cc3)cc2c1.
What is the InChIKey of 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?
The InChIKey is DMGYEFGFIIAVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4.C26H25N3O4/c1-2-5-19-8-13-25-21(16-19)17-26(34-25)30(18-31)14-15-33-22-11-9-20(10-12-22)27(32)29-24-7-4-3-6-23(24)28;1-2-18-7-12-24-20(15-18)16-25(33-24)29(17-30)13-14-32-21-10-8-19(9-11-21)26(31)28-23-6-4-3-5-22(23)27/h3-4,6-13,16-18H,2,5,14-15,28H2,1H3,(H,29,32);3-12,15-17H,2,13-14,27H2,1H3,(H,28,31).
What are the key properties of 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?
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 has a molecular weight of 901.03 g/mol, XLogP of 10.13, 19 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87554860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).