N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide

C23H26N2O — CID 67845558

IUPACN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide
SMILESCN1C2CCC1CC(NC(=O)C(=Cc1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H26N2O/c1-25-20-12-13-21(25)16-19(15-20)24-23(26)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,14,19-21H,12-13,15-16H2,1H3,(H,24,26)
InChIKeyMMCAANAQHGXBPI-UHFFFAOYSA-N
MW346.47 g/mol
LogP3.97
Rot. Bonds4

About N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide

N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide (PubChem CID 67845558) has the molecular formula C23H26N2O and a molecular weight of 346.47 g/mol. Its IUPAC name is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide.

Molecular Properties

Compound NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide
PubChem CID67845558
Molecular FormulaC23H26N2O
Molecular Weight346.47 g/mol
Exact Mass346.20
IUPAC NameN-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide
SMILESCN1C2CCC1CC(NC(=O)C(=Cc1ccccc1)c1ccccc1)C2
InChIInChI=1S/C23H26N2O/c1-25-20-12-13-21(25)16-19(15-20)24-23(26)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,14,19-21H,12-13,15-16H2,1H3,(H,24,26)
InChIKeyMMCAANAQHGXBPI-UHFFFAOYSA-N
XLogP3.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 5060325
(Z)-N-cyclohexyl-2,3-diphenylprop-2-enamide
CID 6260559
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2,3-diphenylprop-2-enoate
CID 20838560
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)benzamide;hydrochloride
CID 126477922
[(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-2-(4-ethylphenyl)-3-phenylprop-2-enoate
CID 20838553
3-(4-aminophenyl)-N-cyclododecyl-2-phenylprop-2-enamide
CID 54402620
N-cycloheptyl-3-(4-methoxyphenyl)-2-phenylprop-2-enamide
CID 2930228
[(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (E)-3-(4-chlorophenyl)-2-phenylprop-2-enoate
CID 20838551
2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718287
(E)-2,3-diphenyl-N-propan-2-ylprop-2-enamide
CID 718290
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (E)-2-(4-methoxyphenyl)-3-phenylprop-2-enoate;hydrochloride
CID 6432634
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) (Z)-2-[4-[[4-[(Z)-3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxy]-3-oxo-1-phenylprop-1-en-2-yl]phenyl]diazenyl]phenyl]-3-phenylprop-2-enoate;dihydrochloride
CID 6444990

Frequently Asked Questions

What is the IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide?
The IUPAC name of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide (CID 67845558) is N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide.
What is the SMILES notation for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide?
The canonical SMILES for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide is CN1C2CCC1CC(NC(=O)C(=Cc1ccccc1)c1ccccc1)C2.
What is the InChIKey of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide?
The InChIKey is MMCAANAQHGXBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O/c1-25-20-12-13-21(25)16-19(15-20)24-23(26)22(18-10-6-3-7-11-18)14-17-8-4-2-5-9-17/h2-11,14,19-21H,12-13,15-16H2,1H3,(H,24,26).
What are the key properties of N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide?
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide has a molecular weight of 346.47 g/mol, XLogP of 3.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2,3-diphenylprop-2-enamide is sourced from PubChem (CID 67845558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).