N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide

C14H24N2O2 — CID 176757801

IUPACN-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide
SMILESC=C(CN1C2CCC1COC2)C(=O)NCC(C)C
InChIInChI=1S/C14H24N2O2/c1-10(2)6-15-14(17)11(3)7-16-12-4-5-13(16)9-18-8-12/h10,12-13H,3-9H2,1-2H3,(H,15,17)
InChIKeyOQZBWFJWXNHXGN-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.18
Rot. Bonds5

About N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide

N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide (PubChem CID 176757801) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide
PubChem CID176757801
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC NameN-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide
SMILESC=C(CN1C2CCC1COC2)C(=O)NCC(C)C
InChIInChI=1S/C14H24N2O2/c1-10(2)6-15-14(17)11(3)7-16-12-4-5-13(16)9-18-8-12/h10,12-13H,3-9H2,1-2H3,(H,15,17)
InChIKeyOQZBWFJWXNHXGN-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide?
The IUPAC name of N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide (CID 176757801) is N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide?
The canonical SMILES for N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide is C=C(CN1C2CCC1COC2)C(=O)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide?
The InChIKey is OQZBWFJWXNHXGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-10(2)6-15-14(17)11(3)7-16-12-4-5-13(16)9-18-8-12/h10,12-13H,3-9H2,1-2H3,(H,15,17).
What are the key properties of N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide?
N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide has a molecular weight of 252.36 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-ylmethyl)prop-2-enamide is sourced from PubChem (CID 176757801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).