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

C24H26N2O3 — CID 19599942

IUPAC[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(OCc3ccccc3)cc1)C2
InChIInChI=1S/C24H26N2O3/c1-25(2)16-22-14-20-15-26(13-12-23(20)29-22)24(27)19-8-10-21(11-9-19)28-17-18-6-4-3-5-7-18/h3-11,14H,12-13,15-17H2,1-2H3
InChIKeyUANNMMQVCYJWLL-UHFFFAOYSA-N
MW390.48 g/mol
LogP4.12
Rot. Bonds6

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

[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone (PubChem CID 19599942) has the molecular formula C24H26N2O3 and a molecular weight of 390.48 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone
PubChem CID19599942
Molecular FormulaC24H26N2O3
Molecular Weight390.48 g/mol
Exact Mass390.19
IUPAC Name[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone
SMILESCN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(OCc3ccccc3)cc1)C2
InChIInChI=1S/C24H26N2O3/c1-25(2)16-22-14-20-15-26(13-12-23(20)29-22)24(27)19-8-10-21(11-9-19)28-17-18-6-4-3-5-7-18/h3-11,14H,12-13,15-17H2,1-2H3
InChIKeyUANNMMQVCYJWLL-UHFFFAOYSA-N
XLogP4.12
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone (CID 19599942) is [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone is CN(C)Cc1cc2c(o1)CCN(C(=O)c1ccc(OCc3ccccc3)cc1)C2.
What is the InChIKey of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone?
The InChIKey is UANNMMQVCYJWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3/c1-25(2)16-22-14-20-15-26(13-12-23(20)29-22)24(27)19-8-10-21(11-9-19)28-17-18-6-4-3-5-7-18/h3-11,14H,12-13,15-17H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone?
[2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone has a molecular weight of 390.48 g/mol, XLogP of 4.12, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]-6,7-dihydro-4H-furo[3,2-c]pyridin-5-yl]-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 19599942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).