N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide

C18H21NO3 — CID 10732904

IUPACN-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C18H21NO3/c1-2-12-19(17(20)15-6-4-3-5-7-15)16-8-10-18(11-9-16)21-13-14-22-18/h2-8H,1,9-14H2
InChIKeyITYRYDSYEKUSSU-UHFFFAOYSA-N
MW299.37 g/mol
LogP3.13
Rot. Bonds4

About N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide

N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide (PubChem CID 10732904) has the molecular formula C18H21NO3 and a molecular weight of 299.37 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide
PubChem CID10732904
Molecular FormulaC18H21NO3
Molecular Weight299.37 g/mol
Exact Mass299.15
IUPAC NameN-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide
SMILESC=CCN(C(=O)c1ccccc1)C1=CCC2(CC1)OCCO2
InChIInChI=1S/C18H21NO3/c1-2-12-19(17(20)15-6-4-3-5-7-15)16-8-10-18(11-9-16)21-13-14-22-18/h2-8H,1,9-14H2
InChIKeyITYRYDSYEKUSSU-UHFFFAOYSA-N
XLogP3.13
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide with MolForge

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

Launch Full Analysis

Related Compounds

1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(phenyl)methanone
CID 2813375
(2,4-Difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35370619
8-Benzoyl-1,4-dioxa-8-azaspiro[4.5]decane-7-carbonitrile
CID 358289
(3,5-Dimethylphenyl)(1,4-dioxa-8-azaspiro[4.5]dec-8-yl)methanone
CID 17250049
N,N-dibenzyl-3-(2-methyl-1,3-dioxolan-2-yl)propanamide
CID 10640829
1,4-Dioxa-8-azaspiro[4.5]dec-8-yl[3-(trifluoromethyl)phenyl]methanone
CID 17250050
(3-Methyl-1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-(2-methylphenyl)methanone
CID 60337964
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-(3-fluoro-4-methylphenyl)methanone
CID 35371006
(3,5-Difluorophenyl)-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 35436100
1,4-Dioxa-8-azaspiro[4.5]decan-8-yl-[4-(trifluoromethyl)phenyl]methanone
CID 56981416

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide?
The IUPAC name of N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide (CID 10732904) is N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide is C=CCN(C(=O)c1ccccc1)C1=CCC2(CC1)OCCO2.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide?
The InChIKey is ITYRYDSYEKUSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO3/c1-2-12-19(17(20)15-6-4-3-5-7-15)16-8-10-18(11-9-16)21-13-14-22-18/h2-8H,1,9-14H2.
What are the key properties of N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide?
N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide has a molecular weight of 299.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]dec-7-en-8-yl)-N-prop-2-enylbenzamide is sourced from PubChem (CID 10732904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).