benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate

C24H25NO4 — CID 101123268

IUPACbenzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCOc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H25NO4/c1-28-20-9-7-19(8-10-20)21-15-24(16-22(21)26)11-13-25(14-12-24)23(27)29-17-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3
InChIKeyAJZOKSJVNBBLIP-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.47
Rot. Bonds4

About benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate

benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate (PubChem CID 101123268) has the molecular formula C24H25NO4 and a molecular weight of 391.47 g/mol. Its IUPAC name is benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate.

Molecular Properties

Compound Namebenzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate
PubChem CID101123268
Molecular FormulaC24H25NO4
Molecular Weight391.47 g/mol
Exact Mass391.18
IUPAC Namebenzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate
SMILESCOc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)CC2=O)cc1
InChIInChI=1S/C24H25NO4/c1-28-20-9-7-19(8-10-20)21-15-24(16-22(21)26)11-13-25(14-12-24)23(27)29-17-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3
InChIKeyAJZOKSJVNBBLIP-UHFFFAOYSA-N
XLogP4.47
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
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benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
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benzyl 4-(4-methoxyphenyl)sulfanyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]piperidine-1-carboxylate
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4-(methylamino)-1-phenylmethoxycarbonylpiperidine-4-carboxylic acid
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benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
benzyl 4-(4-methoxyphenyl)sulfonyl-4-[2-[(2-methylpropan-2-yl)oxyamino]-2-oxoethyl]piperidine-1-carboxylate
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benzyl 4-[2-[methoxy-[(4-methoxyphenyl)methyl]amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylate
CID 87392921
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CID 59433376

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The IUPAC name of benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate (CID 101123268) is benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate.
What is the SMILES notation for benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The canonical SMILES for benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate is COc1ccc(C2=CC3(CCN(C(=O)OCc4ccccc4)CC3)CC2=O)cc1.
What is the InChIKey of benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
The InChIKey is AJZOKSJVNBBLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25NO4/c1-28-20-9-7-19(8-10-20)21-15-24(16-22(21)26)11-13-25(14-12-24)23(27)29-17-18-5-3-2-4-6-18/h2-10,15H,11-14,16-17H2,1H3.
What are the key properties of benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate?
benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate has a molecular weight of 391.47 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(4-methoxyphenyl)-2-oxo-8-azaspiro[4.5]dec-3-ene-8-carboxylate is sourced from PubChem (CID 101123268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).