[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone

C25H28N2O2 — CID 19600027

IUPAC[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone
SMILESCN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(CCc3ccccc3)cc1)CC2
InChIInChI=1S/C25H28N2O2/c1-26(2)17-23-16-22-14-15-27(18-24(22)29-23)25(28)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14-15,17-18H2,1-2H3
InChIKeyHHGISYJXHXESEX-UHFFFAOYSA-N
MW388.51 g/mol
LogP4.32
Rot. Bonds6

About [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone

[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone (PubChem CID 19600027) has the molecular formula C25H28N2O2 and a molecular weight of 388.51 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone
PubChem CID19600027
Molecular FormulaC25H28N2O2
Molecular Weight388.51 g/mol
Exact Mass388.22
IUPAC Name[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone
SMILESCN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(CCc3ccccc3)cc1)CC2
InChIInChI=1S/C25H28N2O2/c1-26(2)17-23-16-22-14-15-27(18-24(22)29-23)25(28)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14-15,17-18H2,1-2H3
InChIKeyHHGISYJXHXESEX-UHFFFAOYSA-N
XLogP4.32
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone (CID 19600027) is [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone is CN(C)Cc1cc2c(o1)CN(C(=O)c1ccc(CCc3ccccc3)cc1)CC2.
What is the InChIKey of [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone?
The InChIKey is HHGISYJXHXESEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O2/c1-26(2)17-23-16-22-14-15-27(18-24(22)29-23)25(28)21-12-10-20(11-13-21)9-8-19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14-15,17-18H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone?
[2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone has a molecular weight of 388.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-5,7-dihydro-4H-furo[2,3-c]pyridin-6-yl]-[4-(2-phenylethyl)phenyl]methanone is sourced from PubChem (CID 19600027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).