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

C31H40FN3O4 — CID 14983484

IUPAC2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2
InChIInChI=1S/C31H40FN3O4/c1-20(7-6-8-21-9-11-23(32)12-10-21)22-15-26(38-19-29(37)34-5)30-24-17-35(18-28(36)33-4)14-13-25(24)31(2,3)39-27(30)16-22/h9-12,15-16,20H,6-8,13-14,17-19H2,1-5H3,(H,33,36)(H,34,37)
InChIKeyPSEVGCFRIKWCEI-UHFFFAOYSA-N
MW537.68 g/mol
LogP4.45
Rot. Bonds10

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

2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (PubChem CID 14983484) has the molecular formula C31H40FN3O4 and a molecular weight of 537.68 g/mol. Its IUPAC name is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
PubChem CID14983484
Molecular FormulaC31H40FN3O4
Molecular Weight537.68 g/mol
Exact Mass537.30
IUPAC Name2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide
SMILESCNC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2
InChIInChI=1S/C31H40FN3O4/c1-20(7-6-8-21-9-11-23(32)12-10-21)22-15-26(38-19-29(37)34-5)30-24-17-35(18-28(36)33-4)14-13-25(24)31(2,3)39-27(30)16-22/h9-12,15-16,20H,6-8,13-14,17-19H2,1-5H3,(H,33,36)(H,34,37)
InChIKeyPSEVGCFRIKWCEI-UHFFFAOYSA-N
XLogP4.45
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.68
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The IUPAC name of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide (CID 14983484) is 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide.
What is the SMILES notation for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The canonical SMILES for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is CNC(=O)COc1cc(C(C)CCCc2ccc(F)cc2)cc2c1C1=C(CCN(CC(=O)NC)C1)C(C)(C)O2.
What is the InChIKey of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
The InChIKey is PSEVGCFRIKWCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H40FN3O4/c1-20(7-6-8-21-9-11-23(32)12-10-21)22-15-26(38-19-29(37)34-5)30-24-17-35(18-28(36)33-4)14-13-25(24)31(2,3)39-27(30)16-22/h9-12,15-16,20H,6-8,13-14,17-19H2,1-5H3,(H,33,36)(H,34,37).
What are the key properties of 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide?
2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide has a molecular weight of 537.68 g/mol, XLogP of 4.45, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[5-(4-fluorophenyl)pentan-2-yl]-5,5-dimethyl-10-[2-(methylamino)-2-oxoethoxy]-3,4-dihydro-1H-chromeno[4,3-c]pyridin-2-yl]-N-methylacetamide is sourced from PubChem (CID 14983484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).