[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate

C23H27N3O4 — CID 69278098

IUPAC[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate
SMILESCOc1cccc(C2=NOC3(CCN(OC(=O)NCc4ccccc4C)CC3)C2)c1
InChIInChI=1S/C23H27N3O4/c1-17-6-3-4-7-19(17)16-24-22(27)29-26-12-10-23(11-13-26)15-21(25-30-23)18-8-5-9-20(14-18)28-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyPPHFAJVIYRARLM-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.80
Rot. Bonds5

About [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate

[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate (PubChem CID 69278098) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate
PubChem CID69278098
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Name[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate
SMILESCOc1cccc(C2=NOC3(CCN(OC(=O)NCc4ccccc4C)CC3)C2)c1
InChIInChI=1S/C23H27N3O4/c1-17-6-3-4-7-19(17)16-24-22(27)29-26-12-10-23(11-13-26)15-21(25-30-23)18-8-5-9-20(14-18)28-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27)
InChIKeyPPHFAJVIYRARLM-UHFFFAOYSA-N
XLogP3.80
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(4-methylphenyl)methyl]carbamate
CID 69278103
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-chlorophenyl)carbamate
CID 69277979
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(4-methoxyphenyl)carbamate
CID 69279859
3-(3-methoxyphenyl)-N-(2-phenylethyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 69322981
1-[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-2,2-diphenylpropan-1-one
CID 69279831
4,4,4-trifluoro-1-[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]butan-1-one
CID 76684782
3-(3-methoxyphenyl)-N-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carbothioamide
CID 87782087
(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl) N-(3-methylsulfanylphenyl)carbamate
CID 69278100
3-[(3-methoxybenzoyl)amino]-N-[(4-methylphenyl)methyl]-4-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)benzamide
CID 24816797
1-[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl]-3-(pentafluoro-λ6-sulfanyl)prop-2-en-1-one
CID 173159248
3-(3-methoxyphenyl)-N-(3-methylsulfanylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene-8-carboxamide
CID 11964834
[3-(4-tert-butylphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-(3-methylphenyl)carbamate
CID 69278754

Frequently Asked Questions

What is the IUPAC name of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate?
The IUPAC name of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate (CID 69278098) is [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate.
What is the SMILES notation for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate?
The canonical SMILES for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate is COc1cccc(C2=NOC3(CCN(OC(=O)NCc4ccccc4C)CC3)C2)c1.
What is the InChIKey of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate?
The InChIKey is PPHFAJVIYRARLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-17-6-3-4-7-19(17)16-24-22(27)29-26-12-10-23(11-13-26)15-21(25-30-23)18-8-5-9-20(14-18)28-2/h3-9,14H,10-13,15-16H2,1-2H3,(H,24,27).
What are the key properties of [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate?
[3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate has a molecular weight of 409.49 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-methoxyphenyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl] N-[(2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 69278098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).