N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide

C15H22N2O2 — CID 43603808

IUPACN-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CC[C@H]3CNC[C@H]3C2)c(C)o1
InChIInChI=1S/C15H22N2O2/c1-9-5-14(10(2)19-9)15(18)17-13-4-3-11-7-16-8-12(11)6-13/h5,11-13,16H,3-4,6-8H2,1-2H3,(H,17,18)/t11-,12+,13?/m0/s1
InChIKeyVJTNVBRDJLBHIT-LAGVYOHYSA-N
MW262.35 g/mol
LogP2.01
Rot. Bonds2

About N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide

N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 43603808) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
PubChem CID43603808
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC NameN-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NC2CC[C@H]3CNC[C@H]3C2)c(C)o1
InChIInChI=1S/C15H22N2O2/c1-9-5-14(10(2)19-9)15(18)17-13-4-3-11-7-16-8-12(11)6-13/h5,11-13,16H,3-4,6-8H2,1-2H3,(H,17,18)/t11-,12+,13?/m0/s1
InChIKeyVJTNVBRDJLBHIT-LAGVYOHYSA-N
XLogP2.01
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide with MolForge

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Related Compounds

2,5-dimethyl-N-pyrrolidin-3-ylfuran-3-carboxamide
CID 43603617
2,5-dimethyl-N-[(3S)-piperidin-3-yl]furan-3-carboxamide
CID 93274596
2,5-dimethyl-N-(2-methylpiperidin-4-yl)furan-3-carboxamide;hydrochloride
CID 120600731
2,5-dimethyl-N-piperidin-3-ylfuran-3-carboxamide;hydrochloride
CID 119427545
N-[4-(ethylamino)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 43653345
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dimethylbenzamide
CID 43603844
N-[(4S)-4-methoxypyrrolidin-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 43594107
N-(2-adamantyl)-2,5-dimethylfuran-3-carboxamide
CID 78798957
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,4-difluorobenzamide
CID 43603814
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,3-dihydroxybenzamide
CID 104894014
N-[4-(carbamoylcarbamoyl)cyclohexyl]-2,5-dimethylfuran-3-carboxamide
CID 154740005
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-4-hydroxy-3-methylbenzamide
CID 107675666

Frequently Asked Questions

What is the IUPAC name of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide (CID 43603808) is N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NC2CC[C@H]3CNC[C@H]3C2)c(C)o1.
What is the InChIKey of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is VJTNVBRDJLBHIT-LAGVYOHYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-9-5-14(10(2)19-9)15(18)17-13-4-3-11-7-16-8-12(11)6-13/h5,11-13,16H,3-4,6-8H2,1-2H3,(H,17,18)/t11-,12+,13?/m0/s1.
What are the key properties of N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide?
N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 262.35 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3aS,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-isoindol-5-yl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 43603808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).