N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen

C25H32N2O3 — CID 177172078

IUPACN,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCCC(C4COC5(CC5)C(=O)C4)C3)cc2[nH]1.[H][H]
InChIInChI=1S/C25H30N2O3.H2/c1-27(2)24(29)22-13-19-8-7-18(12-21(19)26-22)16-5-3-4-6-17(11-16)20-14-23(28)25(9-10-25)30-15-20;/h5,7-8,12-13,17,20,26H,3-4,6,9-11,14-15H2,1-2H3;1H
InChIKeyGSBBOFYBJJLNEZ-UHFFFAOYSA-N
MW408.54 g/mol
LogP4.83
Rot. Bonds3

About N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen

N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen (PubChem CID 177172078) has the molecular formula C25H32N2O3 and a molecular weight of 408.54 g/mol. Its IUPAC name is N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound NameN,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen
PubChem CID177172078
Molecular FormulaC25H32N2O3
Molecular Weight408.54 g/mol
Exact Mass408.24
IUPAC NameN,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen
SMILESCN(C)C(=O)c1cc2ccc(C3=CCCCC(C4COC5(CC5)C(=O)C4)C3)cc2[nH]1.[H][H]
InChIInChI=1S/C25H30N2O3.H2/c1-27(2)24(29)22-13-19-8-7-18(12-21(19)26-22)16-5-3-4-6-17(11-16)20-14-23(28)25(9-10-25)30-15-20;/h5,7-8,12-13,17,20,26H,3-4,6,9-11,14-15H2,1-2H3;1H
InChIKeyGSBBOFYBJJLNEZ-UHFFFAOYSA-N
XLogP4.83
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen?
The IUPAC name of N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen (CID 177172078) is N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen.
What is the SMILES notation for N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen?
The canonical SMILES for N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen is CN(C)C(=O)c1cc2ccc(C3=CCCCC(C4COC5(CC5)C(=O)C4)C3)cc2[nH]1.[H][H].
What is the InChIKey of N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen?
The InChIKey is GSBBOFYBJJLNEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3.H2/c1-27(2)24(29)22-13-19-8-7-18(12-21(19)26-22)16-5-3-4-6-17(11-16)20-14-23(28)25(9-10-25)30-15-20;/h5,7-8,12-13,17,20,26H,3-4,6,9-11,14-15H2,1-2H3;1H.
What are the key properties of N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen?
N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen has a molecular weight of 408.54 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[6-(8-oxo-4-oxaspiro[2.5]octan-6-yl)cyclohepten-1-yl]-1H-indole-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 177172078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).