N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

C19H25N3O2 — CID 52989043

IUPACN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C1NNC2CCCCC21
InChIInChI=1S/C19H25N3O2/c1-12(17-11-13-7-3-6-10-16(13)24-17)22(2)19(23)18-14-8-4-5-9-15(14)20-21-18/h3,6-7,10-12,14-15,18,20-21H,4-5,8-9H2,1-2H3
InChIKeyAECCKGOGXJCCFU-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.99
Rot. Bonds3

About N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide

N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (PubChem CID 52989043) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
PubChem CID52989043
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide
SMILESCC(c1cc2ccccc2o1)N(C)C(=O)C1NNC2CCCCC21
InChIInChI=1S/C19H25N3O2/c1-12(17-11-13-7-3-6-10-16(13)24-17)22(2)19(23)18-14-8-4-5-9-15(14)20-21-18/h3,6-7,10-12,14-15,18,20-21H,4-5,8-9H2,1-2H3
InChIKeyAECCKGOGXJCCFU-UHFFFAOYSA-N
XLogP2.99
TPSA57.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylbicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985064
(2R)-N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 25354183
N-[1-(1-benzofuran-2-yl)ethyl]-N-methylmorpholine-2-carboxamide;hydrochloride
CID 119705084
3-[1-(1-benzofuran-2-yl)ethyl-methylamino]-3-oxopropanoic acid
CID 55049773
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-3-piperidin-3-ylbutanamide
CID 119705070
2-(1-aminocyclobutyl)-N-[1-(1-benzofuran-2-yl)ethyl]-N-methylacetamide
CID 79844029
N-[1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-hydroxyethyl)piperidin-1-yl]-N-methylacetamide
CID 111113418
N-[1-(1-benzofuran-2-yl)ethyl]-N,5-dimethylfuran-2-carboxamide
CID 46551065
N-[1-(1-benzofuran-2-yl)ethyl]-2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-methylacetamide
CID 111336371
1-[1-(1-benzofuran-2-yl)ethyl]-3-(1-cyclohexylpiperidin-4-yl)-1-methylurea
CID 126786259
N-[1-(1-benzofuran-2-yl)ethyl]-2-methoxy-N-methylpropanamide
CID 115588204
(2S)-2-amino-N-[1-(1-benzofuran-2-yl)ethyl]-N,3-dimethylbutanamide
CID 61164290

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide (CID 52989043) is N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is CC(c1cc2ccccc2o1)N(C)C(=O)C1NNC2CCCCC21.
What is the InChIKey of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
The InChIKey is AECCKGOGXJCCFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-12(17-11-13-7-3-6-10-16(13)24-17)22(2)19(23)18-14-8-4-5-9-15(14)20-21-18/h3,6-7,10-12,14-15,18,20-21H,4-5,8-9H2,1-2H3.
What are the key properties of N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide?
N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-benzofuran-2-yl)ethyl]-N-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 52989043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).