N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide

C26H32N2O2 — CID 11269707

IUPACN,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1
InChIInChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)19-11-9-18(10-12-19)25(20-7-6-8-24(29)17-20)21-15-22-13-14-23(16-21)27(22)3/h6-12,17,22-23,29H,4-5,13-16H2,1-3H3
InChIKeyKRJKWYYZMUDKJR-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.93
Rot. Bonds5

About N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide

N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide (PubChem CID 11269707) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide
PubChem CID11269707
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC NameN,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide
SMILESCCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1
InChIInChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)19-11-9-18(10-12-19)25(20-7-6-8-24(29)17-20)21-15-22-13-14-23(16-21)27(22)3/h6-12,17,22-23,29H,4-5,13-16H2,1-3H3
InChIKeyKRJKWYYZMUDKJR-UHFFFAOYSA-N
XLogP4.93
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide?
The IUPAC name of N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide (CID 11269707) is N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide.
What is the SMILES notation for N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide?
The canonical SMILES for N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide is CCN(CC)C(=O)c1ccc(C(=C2CC3CCC(C2)N3C)c2cccc(O)c2)cc1.
What is the InChIKey of N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide?
The InChIKey is KRJKWYYZMUDKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-4-28(5-2)26(30)19-11-9-18(10-12-19)25(20-7-6-8-24(29)17-20)21-15-22-13-14-23(16-21)27(22)3/h6-12,17,22-23,29H,4-5,13-16H2,1-3H3.
What are the key properties of N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide?
N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide has a molecular weight of 404.55 g/mol, XLogP of 4.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(3-hydroxyphenyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-ylidene)methyl]benzamide is sourced from PubChem (CID 11269707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).