N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide

C25H29N3O3 — CID 25000841

IUPACN-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
SMILESCCOCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2
InChIInChI=1S/C25H29N3O3/c1-4-30-12-11-26-24(29)20-13-21-22(27-16(2)28(21)3)23-19(20)9-10-25(31-23)14-17-7-5-6-8-18(17)15-25/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,26,29)
InChIKeyVDHRYGVMMJCCMD-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.51
Rot. Bonds5

About N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide

N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide (PubChem CID 25000841) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
PubChem CID25000841
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC NameN-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide
SMILESCCOCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2
InChIInChI=1S/C25H29N3O3/c1-4-30-12-11-26-24(29)20-13-21-22(27-16(2)28(21)3)23-19(20)9-10-25(31-23)14-17-7-5-6-8-18(17)15-25/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,26,29)
InChIKeyVDHRYGVMMJCCMD-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
The IUPAC name of N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide (CID 25000841) is N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide.
What is the SMILES notation for N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
The canonical SMILES for N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide is CCOCCNC(=O)c1cc2c(nc(C)n2C)c2c1CCC1(Cc3ccccc3C1)O2.
What is the InChIKey of N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
The InChIKey is VDHRYGVMMJCCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-4-30-12-11-26-24(29)20-13-21-22(27-16(2)28(21)3)23-19(20)9-10-25(31-23)14-17-7-5-6-8-18(17)15-25/h5-8,13H,4,9-12,14-15H2,1-3H3,(H,26,29).
What are the key properties of N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide?
N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide has a molecular weight of 419.53 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyethyl)-2',3'-dimethylspiro[1,3-dihydroindene-2,8'-6,7-dihydropyrano[2,3-e]benzimidazole]-5'-carboxamide is sourced from PubChem (CID 25000841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).