N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide

C18H23NO3 — CID 71961174

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H23NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-10,16H,2,5-6,11-14H2,(H,19,20)
InChIKeyKZSHTXTTXJDFHL-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide (PubChem CID 71961174) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide
PubChem CID71961174
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide
SMILESO=C(C=Cc1ccccc1)NCC1COC2(CCCCC2)O1
InChIInChI=1S/C18H23NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-10,16H,2,5-6,11-14H2,(H,19,20)
InChIKeyKZSHTXTTXJDFHL-UHFFFAOYSA-N
XLogP2.89
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide (CID 71961174) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide is O=C(C=Cc1ccccc1)NCC1COC2(CCCCC2)O1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide?
The InChIKey is KZSHTXTTXJDFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c20-17(10-9-15-7-3-1-4-8-15)19-13-16-14-21-18(22-16)11-5-2-6-12-18/h1,3-4,7-10,16H,2,5-6,11-14H2,(H,19,20).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide has a molecular weight of 301.39 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-3-phenylprop-2-enamide is sourced from PubChem (CID 71961174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).