N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide

C21H26N2O2 — CID 166420266

IUPACN-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)N2CC3(CC=CC3)C2C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-18(24)22-17-9-7-16(8-10-17)13-19(25)23-14-21(11-5-6-12-21)20(23)15(2)3/h4-10,15,20H,1,11-14H2,2-3H3,(H,22,24)
InChIKeyBGVVNSVBYHCLFT-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.56
Rot. Bonds5

About N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide

N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide (PubChem CID 166420266) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide
PubChem CID166420266
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC NameN-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(CC(=O)N2CC3(CC=CC3)C2C(C)C)cc1
InChIInChI=1S/C21H26N2O2/c1-4-18(24)22-17-9-7-16(8-10-17)13-19(25)23-14-21(11-5-6-12-21)20(23)15(2)3/h4-10,15,20H,1,11-14H2,2-3H3,(H,22,24)
InChIKeyBGVVNSVBYHCLFT-UHFFFAOYSA-N
XLogP3.56
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-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

Related Compounds

N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]prop-2-enamide
CID 166406056
N-[4-[2-[(2S,3R)-2-(hydroxymethyl)-3-methylpiperidin-1-yl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420226
methyl 2-[4-(prop-2-enoylamino)phenyl]acetate
CID 14209754
N-[4-[2-[1-(1-hydroxycyclohexyl)ethylamino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420251
N-[4-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421188
N-[4-(aminomethyl)phenyl]prop-2-enamide
CID 82503451
N-[4-[2-[2-(cyclohexylcarbamoyl)hydrazinyl]-2-oxoethyl]phenyl]prop-2-enamide
CID 166420235
N-[4-[2-(dioctylamino)-2-oxoethyl]phenyl]prop-2-enamide
CID 166427310
N-[4-[2-[[(1R)-1-(2-fluorophenyl)ethyl]amino]-2-oxoethyl]phenyl]prop-2-enamide
CID 166421340
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclopentane-1-carboxamide
CID 166421213
1-[[2-[4-(prop-2-enoylamino)phenyl]acetyl]amino]cyclobutane-1-carboxamide
CID 166421359
N-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]phenyl]acetamide
CID 24537530

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide (CID 166420266) is N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(CC(=O)N2CC3(CC=CC3)C2C(C)C)cc1.
What is the InChIKey of N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide?
The InChIKey is BGVVNSVBYHCLFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-4-18(24)22-17-9-7-16(8-10-17)13-19(25)23-14-21(11-5-6-12-21)20(23)15(2)3/h4-10,15,20H,1,11-14H2,2-3H3,(H,22,24).
What are the key properties of N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide?
N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide has a molecular weight of 338.45 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-oxo-2-(3-propan-2-yl-2-azaspiro[3.4]oct-6-en-2-yl)ethyl]phenyl]prop-2-enamide is sourced from PubChem (CID 166420266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).