2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

C28H37FN2O3 — CID 14983495

IUPAC2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIInChI=1S/C28H37FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27-22-16-31(17-26(33)30-4)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18,22-23,32H,5-7,12-13,16-17H2,1-4H3,(H,30,33)
InChIKeyYURQMMUFTHDOOJ-UHFFFAOYSA-N
MW468.61 g/mol
LogP4.98
Rot. Bonds7

About 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (PubChem CID 14983495) has the molecular formula C28H37FN2O3 and a molecular weight of 468.61 g/mol. Its IUPAC name is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
PubChem CID14983495
Molecular FormulaC28H37FN2O3
Molecular Weight468.61 g/mol
Exact Mass468.28
IUPAC Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
InChIInChI=1S/C28H37FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27-22-16-31(17-26(33)30-4)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18,22-23,32H,5-7,12-13,16-17H2,1-4H3,(H,30,33)
InChIKeyYURQMMUFTHDOOJ-UHFFFAOYSA-N
XLogP4.98
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide with MolForge

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Related Compounds

2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5-oxo-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
CID 14983498
[6-[5-(4-fluorophenyl)pentan-2-yl]-10,10-dimethyl-9-oxa-12-azatetracyclo[10.2.2.02,11.03,8]hexadeca-2(11),3(8),4,6-tetraen-4-yl] 4-morpholin-4-ylbutanoate;hydrochloride
CID 21439282
N-[(4-fluorophenyl)methyl]-1-[2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 78902356
8-[4-(4-fluorophenyl)butan-2-yl]-5,5-dimethyl-1,2,3,4-tetrahydrochromeno[4,3-c]pyridin-10-ol
CID 90678643
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735
3-[(E)-3,4-dimethylhex-3-en-2-yl]-1-hydroxy-6,6-dimethyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromen-9-one
CID 70590683
methyl (6aS,9R,10aS)-1,9-dihydroxy-6,6-dimethyl-3-pentyl-7,8,10,10a-tetrahydro-6aH-benzo[c]chromene-9-carboxylate
CID 57146987
cyclobutyl-[8-[5-(4-fluorophenyl)pentan-2-yl]-10,10-dihydroxy-5,5-dimethyl-1,3,4,4a-tetrahydrochromeno[4,3-c]pyridin-2-yl]methanone
CID 131709906
2-[4-[(2,2-dimethyl-3H-1-benzofuran-5-yl)methylamino]piperidin-1-yl]-N-methylacetamide
CID 119121844
3-(4-hydroxypentyl)-6,6,9-trimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-ol
CID 6453619
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-[(2R)-2-methylmorpholin-4-yl]acetamide
CID 31502166
methyl (2R,4aS,10bS)-2-[(4-fluorophenyl)methyl]-5,5-dimethyl-3,4,4a,10b-tetrahydro-2H-pyrano[3,2-c]chromene-9-carboxylate
CID 110146097

Frequently Asked Questions

What is the IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (CID 14983495) is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is CNC(=O)CN1CCC2C(C1)c1c(O)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C.
What is the InChIKey of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The InChIKey is YURQMMUFTHDOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(32)27-22-16-31(17-26(33)30-4)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18,22-23,32H,5-7,12-13,16-17H2,1-4H3,(H,30,33).
What are the key properties of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide has a molecular weight of 468.61 g/mol, XLogP of 4.98, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-hydroxy-5,5-dimethyl-3,4,4a,10b-tetrahydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 14983495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).