ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate

C32H32N2O5 — CID 123243362

IUPACethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCCOC(=O)C1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)N(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C32H32N2O5/c1-2-39-31(38)28-27(35)21-32(17-19-33(20-18-32)29(36)26-11-7-4-8-12-26)34(30(28)37)22-23-13-15-25(16-14-23)24-9-5-3-6-10-24/h3-16,28H,2,17-22H2,1H3
InChIKeySRYXEVNJJKCDPR-UHFFFAOYSA-N
MW524.62 g/mol
LogP4.51
Rot. Bonds6

About ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate

ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate (PubChem CID 123243362) has the molecular formula C32H32N2O5 and a molecular weight of 524.62 g/mol. Its IUPAC name is ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate.

Molecular Properties

Compound Nameethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate
PubChem CID123243362
Molecular FormulaC32H32N2O5
Molecular Weight524.62 g/mol
Exact Mass524.23
IUPAC Nameethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate
SMILESCCOC(=O)C1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)N(Cc2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C32H32N2O5/c1-2-39-31(38)28-27(35)21-32(17-19-33(20-18-32)29(36)26-11-7-4-8-12-26)34(30(28)37)22-23-13-15-25(16-14-23)24-9-5-3-6-10-24/h3-16,28H,2,17-22H2,1H3
InChIKeySRYXEVNJJKCDPR-UHFFFAOYSA-N
XLogP4.51
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.62
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate 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

ethyl (3R,4R)-8-benzoyl-3-hydroxy-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 118738486
2-[[2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carbonyl]amino]acetic acid
CID 123912353
ethyl 2-[2-benzyl-3-oxo-8-(4-phenylbenzoyl)-1,4,8-triazaspiro[4.5]decan-4-yl]acetate
CID 90787183
ethyl 4-benzoylpiperazine-1-carboxylate
CID 3273572
[4-[(4-ethoxyphenyl)methyl]piperazin-1-yl]-phenylmethanone;oxalic acid
CID 17366016
(2S)-4-benzyl-8-(4-methylbenzoyl)-2-(2-methylpropyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93146333
ethyl (3aR,4R,5'R,6S,6aS)-1',3'-dibenzyl-5'-hydroxy-2,2-dimethyl-2'-oxospiro[3a,5,6,6a-tetrahydrocyclopenta[d][1,3]dioxole-4,4'-imidazolidine]-6-carboxylate
CID 11340590
(2S)-2-benzyl-4-[(4-fluorophenyl)methyl]-8-(4-methylbenzoyl)-1,4,8-triazaspiro[4.5]decan-3-one
CID 93143579
trans-diethyl (1R,2R)-4-(3-benzoyl-2,4-dioxopyrimidin-1-yl)cyclopentane-1,2-dicarboxylate
CID 71518044
[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]-(4-phenylphenyl)methanone;oxalic acid
CID 17366305
ethyl 1-benzoyl-6,6-dimethyl-4-oxopiperidine-3-carboxylate
CID 118991717
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
CID 146401947

Frequently Asked Questions

What is the IUPAC name of ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate?
The IUPAC name of ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate (CID 123243362) is ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate.
What is the SMILES notation for ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate?
The canonical SMILES for ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate is CCOC(=O)C1C(=O)CC2(CCN(C(=O)c3ccccc3)CC2)N(Cc2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate?
The InChIKey is SRYXEVNJJKCDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32N2O5/c1-2-39-31(38)28-27(35)21-32(17-19-33(20-18-32)29(36)26-11-7-4-8-12-26)34(30(28)37)22-23-13-15-25(16-14-23)24-9-5-3-6-10-24/h3-16,28H,2,17-22H2,1H3.
What are the key properties of ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate?
ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate has a molecular weight of 524.62 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 9-benzoyl-2,4-dioxo-1-[(4-phenylphenyl)methyl]-1,9-diazaspiro[5.5]undecane-3-carboxylate is sourced from PubChem (CID 123243362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).