N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

C18H30N2O2 — CID 119334927

IUPACN-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCOC1CC(NC(=O)C2CC3CCCCC3N2)C12CCC2
InChIInChI=1S/C18H30N2O2/c1-2-22-16-11-15(18(16)8-5-9-18)20-17(21)14-10-12-6-3-4-7-13(12)19-14/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyDCLWYKWUJCIXMZ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.37
Rot. Bonds4

About N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide

N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (PubChem CID 119334927) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
PubChem CID119334927
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC NameN-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
SMILESCCOC1CC(NC(=O)C2CC3CCCCC3N2)C12CCC2
InChIInChI=1S/C18H30N2O2/c1-2-22-16-11-15(18(16)8-5-9-18)20-17(21)14-10-12-6-3-4-7-13(12)19-14/h12-16,19H,2-11H2,1H3,(H,20,21)
InChIKeyDCLWYKWUJCIXMZ-UHFFFAOYSA-N
XLogP2.37
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-ethoxyspiro[3.3]heptan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119334924
N-(3-ethoxyspiro[3.5]nonan-1-yl)piperidine-2-carboxamide;hydrochloride
CID 119335877
2-[(3-ethoxyspiro[3.3]heptan-1-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120976421
N-(3-ethoxyspiro[3.5]nonan-1-yl)acetamide
CID 86769478
3-amino-N-(3-ethoxyspiro[3.4]octan-1-yl)cyclopentane-1-carboxamide
CID 119794729
N-(2-ethylsulfanylcyclopentyl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 103798035
1-(3-ethoxyspiro[3.3]heptan-1-yl)-2-methylguanidine;hydroiodide
CID 111757533
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine
CID 111819902
N-(3-ethoxyspiro[3.3]heptan-1-yl)morpholine-2-carboxamide
CID 119803513
3-amino-N-(3-ethoxyspiro[3.3]heptan-1-yl)propanamide
CID 119334931
2-(cyclobutylmethyl)-1-(3-ethoxyspiro[3.3]heptan-1-yl)guanidine;hydroiodide
CID 111819901
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2-(1-hydroxycyclopentyl)acetamide
CID 111540303

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The IUPAC name of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide (CID 119334927) is N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The canonical SMILES for N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is CCOC1CC(NC(=O)C2CC3CCCCC3N2)C12CCC2.
What is the InChIKey of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
The InChIKey is DCLWYKWUJCIXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-2-22-16-11-15(18(16)8-5-9-18)20-17(21)14-10-12-6-3-4-7-13(12)19-14/h12-16,19H,2-11H2,1H3,(H,20,21).
What are the key properties of N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide?
N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide has a molecular weight of 306.45 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxyspiro[3.3]heptan-1-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide is sourced from PubChem (CID 119334927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).