4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine

C23H32N2O2 — CID 3052123

IUPAC4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCCCNC(C)(C)C)COC2
InChIInChI=1S/C23H32N2O2/c1-17-22(27-13-9-8-12-24-23(2,3)4)20-16-26-15-19(20)21(25-17)14-18-10-6-5-7-11-18/h5-7,10-11,24H,8-9,12-16H2,1-4H3
InChIKeyKCUDIVFYNDOJRR-UHFFFAOYSA-N
MW368.52 g/mol
LogP4.56
Rot. Bonds8

About 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine

4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine (PubChem CID 3052123) has the molecular formula C23H32N2O2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine.

Molecular Properties

Compound Name4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine
PubChem CID3052123
Molecular FormulaC23H32N2O2
Molecular Weight368.52 g/mol
Exact Mass368.25
IUPAC Name4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine
SMILESCc1nc(Cc2ccccc2)c2c(c1OCCCCNC(C)(C)C)COC2
InChIInChI=1S/C23H32N2O2/c1-17-22(27-13-9-8-12-24-23(2,3)4)20-16-26-15-19(20)21(25-17)14-18-10-6-5-7-11-18/h5-7,10-11,24H,8-9,12-16H2,1-4H3
InChIKeyKCUDIVFYNDOJRR-UHFFFAOYSA-N
XLogP4.56
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.52
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine?
The IUPAC name of 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine (CID 3052123) is 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine.
What is the SMILES notation for 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine?
The canonical SMILES for 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine is Cc1nc(Cc2ccccc2)c2c(c1OCCCCNC(C)(C)C)COC2.
What is the InChIKey of 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine?
The InChIKey is KCUDIVFYNDOJRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2O2/c1-17-22(27-13-9-8-12-24-23(2,3)4)20-16-26-15-19(20)21(25-17)14-18-10-6-5-7-11-18/h5-7,10-11,24H,8-9,12-16H2,1-4H3.
What are the key properties of 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine?
4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine has a molecular weight of 368.52 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-benzyl-6-methyl-1,3-dihydrofuro[3,4-c]pyridin-7-yl)oxy]-N-tert-butylbutan-1-amine is sourced from PubChem (CID 3052123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).