2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

C32H42FN3O4 — CID 14983485

About 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide

2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (PubChem CID 14983485) has the molecular formula C32H42FN3O4 and a molecular weight of 551.70 g/mol. Its IUPAC name is 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

• Compound Name: 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
• PubChem CID: 14983485
• Molecular Formula: C32H42FN3O4
• Molecular Weight: 551.70 g/mol
• Exact Mass: 551.32
• IUPAC Name: 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
• SMILES: CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C
• InChI: InChI=1S/C32H42FN3O4/c1-21(8-7-9-22-10-12-24(33)13-11-22)23-16-27(39-20-30(38)35(5)6)31-25-18-36(19-29(37)34-4)15-14-26(25)32(2,3)40-28(31)17-23/h10-13,16-17,21H,7-9,14-15,18-20H2,1-6H3,(H,34,37)
• InChIKey: KCWUOFPRIMHUCX-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 71.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.70
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?

The IUPAC name of 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (CID 14983485) is 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.

What is the SMILES notation for 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?

The canonical SMILES for 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is CNC(=O)CN1CCC2=C(C1)c1c(OCC(=O)N(C)C)cc(C(C)CCCc3ccc(F)cc3)cc1OC2(C)C.

What is the InChIKey of 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?

The InChIKey is KCWUOFPRIMHUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42FN3O4/c1-21(8-7-9-22-10-12-24(33)13-11-22)23-16-27(39-20-30(38)35(5)6)31-25-18-36(19-29(37)34-4)15-14-26(25)32(2,3)40-28(31)17-23/h10-13,16-17,21H,7-9,14-15,18-20H2,1-6H3,(H,34,37).

What are the key properties of 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?

2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide has a molecular weight of 551.70 g/mol, XLogP of 4.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[10-[2-(dimethylamino)-2-oxoethoxy]-8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 14983485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).