(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

C20H27F3N2O4 — CID 127021957

IUPAC(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O2.C2HF3O2/c1-13-4-6-14(7-5-13)11-20-9-8-15-10-16(18(21)19(2)3)22-17(15)12-20;3-2(4,5)1(6)7/h4-7,15-17H,8-12H2,1-3H3;(H,6,7)/t15-,16+,17-;/m0./s1
InChIKeyAHZAMIPAFGQPDT-VNMUXGFYSA-N
MW416.44 g/mol
LogP2.70
Rot. Bonds3

About (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid

(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 127021957) has the molecular formula C20H27F3N2O4 and a molecular weight of 416.44 g/mol. Its IUPAC name is (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID127021957
Molecular FormulaC20H27F3N2O4
Molecular Weight416.44 g/mol
Exact Mass416.19
IUPAC Name(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)cc1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H26N2O2.C2HF3O2/c1-13-4-6-14(7-5-13)11-20-9-8-15-10-16(18(21)19(2)3)22-17(15)12-20;3-2(4,5)1(6)7/h4-7,15-17H,8-12H2,1-3H3;(H,6,7)/t15-,16+,17-;/m0./s1
InChIKeyAHZAMIPAFGQPDT-VNMUXGFYSA-N
XLogP2.70
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid (CID 127021957) is (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CC[C@H]3C[C@H](C(=O)N(C)C)O[C@H]3C2)cc1.O=C(O)C(F)(F)F.
What is the InChIKey of (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is AHZAMIPAFGQPDT-VNMUXGFYSA-N. The full InChI is InChI=1S/C18H26N2O2.C2HF3O2/c1-13-4-6-14(7-5-13)11-20-9-8-15-10-16(18(21)19(2)3)22-17(15)12-20;3-2(4,5)1(6)7/h4-7,15-17H,8-12H2,1-3H3;(H,6,7)/t15-,16+,17-;/m0./s1.
What are the key properties of (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid?
(2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 416.44 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aS,7aR)-N,N-dimethyl-6-[(4-methylphenyl)methyl]-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 127021957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).