3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C23H25NO3 — CID 162408814

IUPAC3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCCCCCCC(=O)C1=C(c2ccccc2)C2(C=CC(=O)C=C2)N(C)C1=O
InChIInChI=1S/C23H25NO3/c1-3-4-5-9-12-19(26)20-21(17-10-7-6-8-11-17)23(24(2)22(20)27)15-13-18(25)14-16-23/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3
InChIKeyLYPQOZDTMGBDAV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.89
Rot. Bonds7

About 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 162408814) has the molecular formula C23H25NO3 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID162408814
Molecular FormulaC23H25NO3
Molecular Weight363.46 g/mol
Exact Mass363.18
IUPAC Name3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCCCCCCC(=O)C1=C(c2ccccc2)C2(C=CC(=O)C=C2)N(C)C1=O
InChIInChI=1S/C23H25NO3/c1-3-4-5-9-12-19(26)20-21(17-10-7-6-8-11-17)23(24(2)22(20)27)15-13-18(25)14-16-23/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3
InChIKeyLYPQOZDTMGBDAV-UHFFFAOYSA-N
XLogP3.89
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione 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

3-butanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 162408813
1-methyl-3-nitro-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
CID 122219358
1,1'-biphenyl;heptadecan-9-one
CID 19613965
1-phenylheptadecan-1-one
CID 577626
1-(4-phenyl-2-sulfanylphenyl)octan-1-one
CID 68572474
4-dodecanoyl-5-phenyl-1,2-dihydropyrazol-3-one
CID 18617913
1-(2-chlorophenyl)dodecan-1-one
CID 114963350
1-(2-methylphenyl)undecan-1-one
CID 63409592
1-(2-methylphenyl)nonan-1-one
CID 63409672
3-iodo-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-di(16O,18O)one
CID 57343484
1-(2-aminophenyl)pentadecan-1-one
CID 101449964
1,1'-biphenyl;methyl tetradecanoate
CID 175273282

Frequently Asked Questions

What is the IUPAC name of 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 162408814) is 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CCCCCCC(=O)C1=C(c2ccccc2)C2(C=CC(=O)C=C2)N(C)C1=O.
What is the InChIKey of 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is LYPQOZDTMGBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO3/c1-3-4-5-9-12-19(26)20-21(17-10-7-6-8-11-17)23(24(2)22(20)27)15-13-18(25)14-16-23/h6-8,10-11,13-16H,3-5,9,12H2,1-2H3.
What are the key properties of 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 363.46 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-heptanoyl-1-methyl-4-phenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 162408814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).