N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

C16H24N2O2 — CID 81399681

IUPACN-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESC[C@H](NC(=O)C1CCC2CCCCC2N1)c1ccco1
InChIInChI=1S/C16H24N2O2/c1-11(15-7-4-10-20-15)17-16(19)14-9-8-12-5-2-3-6-13(12)18-14/h4,7,10-14,18H,2-3,5-6,8-9H2,1H3,(H,17,19)/t11-,12?,13?,14?/m0/s1
InChIKeyOOYMMQVKOAHQLD-YWLNHKIPSA-N
MW276.38 g/mol
LogP2.77
Rot. Bonds3

About N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide

N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (PubChem CID 81399681) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
PubChem CID81399681
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
SMILESC[C@H](NC(=O)C1CCC2CCCCC2N1)c1ccco1
InChIInChI=1S/C16H24N2O2/c1-11(15-7-4-10-20-15)17-16(19)14-9-8-12-5-2-3-6-13(12)18-14/h4,7,10-14,18H,2-3,5-6,8-9H2,1H3,(H,17,19)/t11-,12?,13?,14?/m0/s1
InChIKeyOOYMMQVKOAHQLD-YWLNHKIPSA-N
XLogP2.77
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide with MolForge

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Related Compounds

(2S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-2-carboxamide
CID 93104490
N-[(1S)-1-(furan-2-yl)ethyl]azetidine-2-carboxamide
CID 130949858
N-[1-(furan-2-yl)propan-2-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43705208
N-[1-(furan-2-yl)ethyl]-2-hydroxycyclopentane-1-carboxamide
CID 110015111
N-[1-(5-methylfuran-2-yl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 43703395
N-[1-(furan-2-yl)ethyl]piperidine-4-carboxamide
CID 43535349
(3S)-N-[(1S)-1-(furan-2-yl)ethyl]piperidine-3-carboxamide
CID 81399564
4-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)pentanoic acid
CID 66468796
methyl 2-(1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carbonylamino)-3-methylbutanoate
CID 66470994
N-(2,6-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470360
N-[1-(2,6-difluorophenyl)ethyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119285511
(2S,4aS,8aS)-N-tert-butyl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 10977514

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide (CID 81399681) is N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is C[C@H](NC(=O)C1CCC2CCCCC2N1)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
The InChIKey is OOYMMQVKOAHQLD-YWLNHKIPSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-11(15-7-4-10-20-15)17-16(19)14-9-8-12-5-2-3-6-13(12)18-14/h4,7,10-14,18H,2-3,5-6,8-9H2,1H3,(H,17,19)/t11-,12?,13?,14?/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide?
N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide is sourced from PubChem (CID 81399681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).