2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide

C28H35FN2O3 — CID 14983490

IUPAC2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide
SMILESCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2
InChIInChI=1S/C28H35FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(33-4)27-22-16-31(17-26(30)32)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18H,5-7,12-13,16-17H2,1-4H3,(H2,30,32)
InChIKeyWGBUMONGBSKHGZ-UHFFFAOYSA-N
MW466.60 g/mol
LogP5.08
Rot. Bonds8

About 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide

2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide (PubChem CID 14983490) has the molecular formula C28H35FN2O3 and a molecular weight of 466.60 g/mol. Its IUPAC name is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide.

Molecular Properties

Compound Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide
PubChem CID14983490
Molecular FormulaC28H35FN2O3
Molecular Weight466.60 g/mol
Exact Mass466.26
IUPAC Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide
SMILESCOc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2
InChIInChI=1S/C28H35FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(33-4)27-22-16-31(17-26(30)32)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18H,5-7,12-13,16-17H2,1-4H3,(H2,30,32)
InChIKeyWGBUMONGBSKHGZ-UHFFFAOYSA-N
XLogP5.08
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.60
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide?
The IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide (CID 14983490) is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide.
What is the SMILES notation for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide?
The canonical SMILES for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide is COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(N)=O)C1)C(C)(C)O2.
What is the InChIKey of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide?
The InChIKey is WGBUMONGBSKHGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35FN2O3/c1-18(6-5-7-19-8-10-21(29)11-9-19)20-14-24(33-4)27-22-16-31(17-26(30)32)13-12-23(22)28(2,3)34-25(27)15-20/h8-11,14-15,18H,5-7,12-13,16-17H2,1-4H3,(H2,30,32).
What are the key properties of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide?
2-[8-[5-(4-fluorophenyl)pentan-2-yl]-10-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide has a molecular weight of 466.60 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 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-methoxy-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]acetamide is sourced from PubChem (CID 14983490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).