N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

C17H24N2O3 — CID 124785873

IUPACN-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C17H24N2O3/c20-16(11-18-17(21)15-6-3-9-22-15)19-14-8-7-12-4-1-2-5-13(12)10-14/h3,6,9,12-14H,1-2,4-5,7-8,10-11H2,(H,18,21)(H,19,20)/t12-,13+,14-/m1/s1
InChIKeyLSQZGIVMDBGTLO-HZSPNIEDSA-N
MW304.39 g/mol
LogP2.48
Rot. Bonds4

About N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide

N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (PubChem CID 124785873) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
PubChem CID124785873
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC NameN-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide
SMILESO=C(CNC(=O)c1ccco1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1
InChIInChI=1S/C17H24N2O3/c20-16(11-18-17(21)15-6-3-9-22-15)19-14-8-7-12-4-1-2-5-13(12)10-14/h3,6,9,12-14H,1-2,4-5,7-8,10-11H2,(H,18,21)(H,19,20)/t12-,13+,14-/m1/s1
InChIKeyLSQZGIVMDBGTLO-HZSPNIEDSA-N
XLogP2.48
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide with MolForge

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Related Compounds

N-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]furan-2-carboxamide
CID 9404333
[2-(cyclohexylamino)-2-oxoethyl] 2-(furan-2-carbonylamino)acetate
CID 7880332
N-[2-oxo-2-[(6-oxopiperidin-3-yl)amino]ethyl]furan-2-carboxamide
CID 55211401
N-[2-(1-azabicyclo[2.2.2]octan-3-ylamino)-2-oxoethyl]furan-2-carboxamide
CID 91948672
N-[5-[[(2R,4aR,8aR)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 41409796
N-[3-[(4-hydroxycyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 43389127
N-cyclooctylfuran-2-carboxamide
CID 790432
N-[2-[(3-hydroxycyclopentyl)methylamino]-2-oxoethyl]furan-2-carboxamide
CID 103280341
N-[3-[(4-methylcyclohexyl)amino]-3-oxopropyl]furan-2-carboxamide
CID 24633715
N-[2-[[1-(furan-2-carbonyl)piperidin-4-yl]amino]-2-oxoethyl]cyclopentanecarboxamide
CID 46450591
N-[[5-[2-(cyclopropylamino)-2-oxoethyl]-3,4-dihydroxyoxolan-2-yl]methyl]furan-2-carboxamide
CID 74451422
N-cyclopentyl-4-(furan-2-yl)-4-oxobutanamide
CID 110389813

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide (CID 124785873) is N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is O=C(CNC(=O)c1ccco1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1.
What is the InChIKey of N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
The InChIKey is LSQZGIVMDBGTLO-HZSPNIEDSA-N. The full InChI is InChI=1S/C17H24N2O3/c20-16(11-18-17(21)15-6-3-9-22-15)19-14-8-7-12-4-1-2-5-13(12)10-14/h3,6,9,12-14H,1-2,4-5,7-8,10-11H2,(H,18,21)(H,19,20)/t12-,13+,14-/m1/s1.
What are the key properties of N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide?
N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl]amino]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 124785873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).