methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate

C24H26N2O5 — CID 11683243

IUPACmethyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCCC12Cc1ccccc1CN(CC(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C24H26N2O5/c1-30-23(29)26-13-7-12-24(26)14-19-10-5-6-11-20(19)15-25(22(24)28)16-21(27)31-17-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKeyQQNUSCUTOKBDPY-UHFFFAOYSA-N
MW422.48 g/mol
LogP2.92
Rot. Bonds4

About methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate

methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate (PubChem CID 11683243) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate.

Molecular Properties

Compound Namemethyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate
PubChem CID11683243
Molecular FormulaC24H26N2O5
Molecular Weight422.48 g/mol
Exact Mass422.18
IUPAC Namemethyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate
SMILESCOC(=O)N1CCCC12Cc1ccccc1CN(CC(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C24H26N2O5/c1-30-23(29)26-13-7-12-24(26)14-19-10-5-6-11-20(19)15-25(22(24)28)16-21(27)31-17-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3
InChIKeyQQNUSCUTOKBDPY-UHFFFAOYSA-N
XLogP2.92
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.48
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate with MolForge

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Related Compounds

benzyl 7-[(2S)-1-methoxy-1-oxopropan-2-yl]-6-oxo-1,7-diazaspiro[4.4]nonane-1-carboxylate
CID 54125624
benzyl (2S)-2-formyl-2-methylpyrrolidine-1-carboxylate
CID 86625219
1-O-benzyl 2-O-methyl (2S)-2-methylpyrrolidine-1,2-dicarboxylate
CID 86326307
benzyl 2-(1-methyl-3,5-dioxo-1,4-diazaspiro[5.7]tridecan-4-yl)acetate
CID 53388993
benzyl 2-[2-[[(2S,3R)-3-acetyloxy-1-amino-1-oxobutan-2-yl]amino]-2-oxoethyl]-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 90330257
benzyl 2-[(3R)-3-hydroxy-3-[(S)-hydroxy(phenyl)methyl]-2-oxopiperidin-1-yl]acetate
CID 100949439
2-O-benzyl 1-O-methyl 2-hydroxypiperidine-1,2-dicarboxylate
CID 139654801
benzyl 2,2-diphenylpyrrolidine-1-carboxylate
CID 166443554
benzyl 2-[(3S)-3-amino-2-oxo-3-(2-phenylethyl)piperidin-1-yl]acetate
CID 174402054
1-O-benzyl 2-O-methyl 2-methylpiperidine-1,2-dicarboxylate
CID 25194780
1-O-benzyl 2-O-methyl 2-prop-2-enylpyrrolidine-1,2-dicarboxylate
CID 10709551
(2R)-2-ethoxy-1-phenylmethoxycarbonylpyrrolidine-2-carboxylic acid
CID 70104590

Frequently Asked Questions

What is the IUPAC name of methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate?
The IUPAC name of methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate (CID 11683243) is methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate.
What is the SMILES notation for methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate?
The canonical SMILES for methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate is COC(=O)N1CCCC12Cc1ccccc1CN(CC(=O)OCc1ccccc1)C2=O.
What is the InChIKey of methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate?
The InChIKey is QQNUSCUTOKBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-30-23(29)26-13-7-12-24(26)14-19-10-5-6-11-20(19)15-25(22(24)28)16-21(27)31-17-18-8-3-2-4-9-18/h2-6,8-11H,7,12-17H2,1H3.
What are the key properties of methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate?
methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate has a molecular weight of 422.48 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-oxo-2-(2-oxo-2-phenylmethoxyethyl)spiro[1,5-dihydro-2-benzazepine-4,2'-pyrrolidine]-1'-carboxylate is sourced from PubChem (CID 11683243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).