5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

C25H25N3O4 — CID 83276291

IUPAC5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1cccc(C)c1
InChIInChI=1S/C25H25N3O4/c1-17-5-3-6-18(13-17)16-28-21-9-8-20(27-25(30)23-7-4-11-32-23)14-19(21)15-22(28)24(29)26-10-12-31-2/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyIIUQFCLSMYBPDT-UHFFFAOYSA-N
MW431.49 g/mol
LogP4.22
Rot. Bonds8

About 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide

5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide (PubChem CID 83276291) has the molecular formula C25H25N3O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound Name5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
PubChem CID83276291
Molecular FormulaC25H25N3O4
Molecular Weight431.49 g/mol
Exact Mass431.18
IUPAC Name5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
SMILESCOCCNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1cccc(C)c1
InChIInChI=1S/C25H25N3O4/c1-17-5-3-6-18(13-17)16-28-21-9-8-20(27-25(30)23-7-4-11-32-23)14-19(21)15-22(28)24(29)26-10-12-31-2/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,29)(H,27,30)
InChIKeyIIUQFCLSMYBPDT-UHFFFAOYSA-N
XLogP4.22
TPSA85.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-carbonylamino)-1-[(3-methylphenyl)methyl]-N-phenylindole-2-carboxamide
CID 91635435
5-[[2-(4-fluorophenyl)acetyl]amino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 83287983
5-[(4-chlorophenyl)sulfonylamino]-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide
CID 42808901
1-benzyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83278269
5-[(2-chlorobenzoyl)amino]-1-[(4-fluorophenyl)methyl]-N-(2-methoxyethyl)indole-2-carboxamide
CID 83284031
N-benzyl-1-[(3-methylphenyl)methyl]-5-[(2-phenylmethoxyacetyl)amino]indole-2-carboxamide
CID 83287300
1-ethyl-5-(furan-2-carbonylamino)-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273760
5-[(2-chlorobenzoyl)amino]-1-[(3-methylphenyl)methyl]-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 42808893
5-(furan-2-carbonylamino)-1-propyl-N-(2-pyridin-2-ylethyl)indole-2-carboxamide
CID 83273417
5-[(3,4-dimethylbenzoyl)amino]-N-(2-methoxyethyl)-1-propylindole-2-carboxamide
CID 83281983
N-[3-[2-(2-methoxyethylamino)-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 46547454
1-[(3-fluorophenyl)methyl]-5-methyl-N-(1-methylindol-5-yl)indole-2-carboxamide
CID 69130872

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide (CID 83276291) is 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide is COCCNC(=O)c1cc2cc(NC(=O)c3ccco3)ccc2n1Cc1cccc(C)c1.
What is the InChIKey of 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
The InChIKey is IIUQFCLSMYBPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O4/c1-17-5-3-6-18(13-17)16-28-21-9-8-20(27-25(30)23-7-4-11-32-23)14-19(21)15-22(28)24(29)26-10-12-31-2/h3-9,11,13-15H,10,12,16H2,1-2H3,(H,26,29)(H,27,30).
What are the key properties of 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide?
5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 4.22, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-carbonylamino)-N-(2-methoxyethyl)-1-[(3-methylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 83276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).