N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

C25H40N6O — CID 24950876

IUPACN-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCCCCN1CCc2c(C)c(Cc3nn[nH]n3)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C25H40N6O/c1-7-8-9-10-11-12-14-31-15-13-19-17(2)20(16-21-27-29-30-28-21)18(3)22(23(19)31)26-24(32)25(4,5)6/h7-16H2,1-6H3,(H,26,32)(H,27,28,29,30)
InChIKeyVOLIANOPMZYRIU-UHFFFAOYSA-N
MW440.64 g/mol
LogP5.11
Rot. Bonds10

About N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide

N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (PubChem CID 24950876) has the molecular formula C25H40N6O and a molecular weight of 440.64 g/mol. Its IUPAC name is N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
PubChem CID24950876
Molecular FormulaC25H40N6O
Molecular Weight440.64 g/mol
Exact Mass440.33
IUPAC NameN-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide
SMILESCCCCCCCCN1CCc2c(C)c(Cc3nn[nH]n3)c(C)c(NC(=O)C(C)(C)C)c21
InChIInChI=1S/C25H40N6O/c1-7-8-9-10-11-12-14-31-15-13-19-17(2)20(16-21-27-29-30-28-21)18(3)22(23(19)31)26-24(32)25(4,5)6/h7-16H2,1-6H3,(H,26,32)(H,27,28,29,30)
InChIKeyVOLIANOPMZYRIU-UHFFFAOYSA-N
XLogP5.11
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.64
LogP ≤ 55.11
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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Frequently Asked Questions

What is the IUPAC name of N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide (CID 24950876) is N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is CCCCCCCCN1CCc2c(C)c(Cc3nn[nH]n3)c(C)c(NC(=O)C(C)(C)C)c21.
What is the InChIKey of N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
The InChIKey is VOLIANOPMZYRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40N6O/c1-7-8-9-10-11-12-14-31-15-13-19-17(2)20(16-21-27-29-30-28-21)18(3)22(23(19)31)26-24(32)25(4,5)6/h7-16H2,1-6H3,(H,26,32)(H,27,28,29,30).
What are the key properties of N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide?
N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide has a molecular weight of 440.64 g/mol, XLogP of 5.11, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,6-dimethyl-1-octyl-5-(2H-tetrazol-5-ylmethyl)-2,3-dihydroindol-7-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 24950876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).