(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide

C21H24N2O — CID 98470580

IUPAC(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN1[C@H]2CC[C@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2
InChIInChI=1S/C21H24N2O/c1-23-18-10-11-19(23)14-17(13-18)22-21(24)12-9-16-7-4-6-15-5-2-3-8-20(15)16/h2-9,12,17-19H,10-11,13-14H2,1H3,(H,22,24)/b12-9+/t18-,19-/m0/s1
InChIKeyANEGKXXUNGIDBD-KSEZFFFOSA-N
MW320.44 g/mol
LogP3.59
Rot. Bonds3

About (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide

(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide (PubChem CID 98470580) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide
PubChem CID98470580
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide
SMILESCN1[C@H]2CC[C@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2
InChIInChI=1S/C21H24N2O/c1-23-18-10-11-19(23)14-17(13-18)22-21(24)12-9-16-7-4-6-15-5-2-3-8-20(15)16/h2-9,12,17-19H,10-11,13-14H2,1H3,(H,22,24)/b12-9+/t18-,19-/m0/s1
InChIKeyANEGKXXUNGIDBD-KSEZFFFOSA-N
XLogP3.59
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide?
The IUPAC name of (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide (CID 98470580) is (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide?
The canonical SMILES for (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide is CN1[C@H]2CC[C@H]1CC(NC(=O)/C=C/c1cccc3ccccc13)C2.
What is the InChIKey of (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide?
The InChIKey is ANEGKXXUNGIDBD-KSEZFFFOSA-N. The full InChI is InChI=1S/C21H24N2O/c1-23-18-10-11-19(23)14-17(13-18)22-21(24)12-9-16-7-4-6-15-5-2-3-8-20(15)16/h2-9,12,17-19H,10-11,13-14H2,1H3,(H,22,24)/b12-9+/t18-,19-/m0/s1.
What are the key properties of (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide?
(E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide has a molecular weight of 320.44 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]-3-naphthalen-1-ylprop-2-enamide is sourced from PubChem (CID 98470580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).