N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide

C24H34N2O3 — CID 71124807

IUPACN-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
SMILESCOc1ccc(C(C)N2C3CCC2CC(NC(=O)C2C=COC2C)C3)c(C)c1C
InChIInChI=1S/C24H34N2O3/c1-14-15(2)23(28-5)9-8-21(14)16(3)26-19-6-7-20(26)13-18(12-19)25-24(27)22-10-11-29-17(22)4/h8-11,16-20,22H,6-7,12-13H2,1-5H3,(H,25,27)
InChIKeyNEUVVXJAXJNGGW-UHFFFAOYSA-N
MW398.55 g/mol
LogP4.03
Rot. Bonds5

About N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide

N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide (PubChem CID 71124807) has the molecular formula C24H34N2O3 and a molecular weight of 398.55 g/mol. Its IUPAC name is N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide.

Molecular Properties

Compound NameN-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
PubChem CID71124807
Molecular FormulaC24H34N2O3
Molecular Weight398.55 g/mol
Exact Mass398.26
IUPAC NameN-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide
SMILESCOc1ccc(C(C)N2C3CCC2CC(NC(=O)C2C=COC2C)C3)c(C)c1C
InChIInChI=1S/C24H34N2O3/c1-14-15(2)23(28-5)9-8-21(14)16(3)26-19-6-7-20(26)13-18(12-19)25-24(27)22-10-11-29-17(22)4/h8-11,16-20,22H,6-7,12-13H2,1-5H3,(H,25,27)
InChIKeyNEUVVXJAXJNGGW-UHFFFAOYSA-N
XLogP4.03
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
The IUPAC name of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide (CID 71124807) is N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide.
What is the SMILES notation for N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
The canonical SMILES for N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide is COc1ccc(C(C)N2C3CCC2CC(NC(=O)C2C=COC2C)C3)c(C)c1C.
What is the InChIKey of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
The InChIKey is NEUVVXJAXJNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N2O3/c1-14-15(2)23(28-5)9-8-21(14)16(3)26-19-6-7-20(26)13-18(12-19)25-24(27)22-10-11-29-17(22)4/h8-11,16-20,22H,6-7,12-13H2,1-5H3,(H,25,27).
What are the key properties of N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide?
N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide has a molecular weight of 398.55 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-yl]-2-methyl-2,3-dihydrofuran-3-carboxamide is sourced from PubChem (CID 71124807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).