[3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate

C27H27N3O4 — CID 91514852

IUPAC[3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate
SMILESCc1ccc(C2=NOC3(CCCCC3)N2OC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-20-14-16-21(17-15-20)25-29-34-27(18-8-3-9-19-27)30(25)33-26(31)28-23-12-6-7-13-24(23)32-22-10-4-2-5-11-22/h2,4-7,10-17H,3,8-9,18-19H2,1H3,(H,28,31)
InChIKeyFUQKAJZKUJJTHH-UHFFFAOYSA-N
MW457.53 g/mol
LogP6.61
Rot. Bonds5

About [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate

[3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate (PubChem CID 91514852) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate.

Molecular Properties

Compound Name[3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate
PubChem CID91514852
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC Name[3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate
SMILESCc1ccc(C2=NOC3(CCCCC3)N2OC(=O)Nc2ccccc2Oc2ccccc2)cc1
InChIInChI=1S/C27H27N3O4/c1-20-14-16-21(17-15-20)25-29-34-27(18-8-3-9-19-27)30(25)33-26(31)28-23-12-6-7-13-24(23)32-22-10-4-2-5-11-22/h2,4-7,10-17H,3,8-9,18-19H2,1H3,(H,28,31)
InChIKeyFUQKAJZKUJJTHH-UHFFFAOYSA-N
XLogP6.61
TPSA72.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.53
LogP ≤ 56.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-methylphenyl)cyclopropyl]-3-(2-phenoxyphenyl)urea
CID 113215342
2-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]amino]-N-(2-phenoxyphenyl)acetamide
CID 47084614
N-(2-phenoxyphenyl)-1,5-dioxa-9-azaspiro[5.5]undecane-9-carboxamide
CID 3268615
ethyl 4-[2-oxo-2-(2-phenoxyanilino)ethyl]piperazine-1-carboxylate
CID 8932102
1-[[2-(4-methylphenoxy)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122074253
5-methyl-N-(2-phenoxyphenyl)-1,2-oxazole-4-carboxamide
CID 110682649
1-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-(2-phenoxyphenyl)piperidine-3-carboxamide
CID 43930491
2-bromo-2-methyl-N-[2-(4-methylphenoxy)phenyl]propanamide
CID 114327448
N-[2-(4-methylphenoxy)phenyl]pyridine-3-carboxamide
CID 38504749
3-(4-methylanilino)-N-(2-phenoxyphenyl)propanamide
CID 109034509
2-(3-methyl-8-oxa-2-azaspiro[4.5]decan-2-yl)-2-oxo-N-(2-phenoxyphenyl)acetamide
CID 167877833
(E)-N-[2-(4-methylphenoxy)phenyl]but-2-enamide
CID 78906818

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate?
The IUPAC name of [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate (CID 91514852) is [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate.
What is the SMILES notation for [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate?
The canonical SMILES for [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate is Cc1ccc(C2=NOC3(CCCCC3)N2OC(=O)Nc2ccccc2Oc2ccccc2)cc1.
What is the InChIKey of [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate?
The InChIKey is FUQKAJZKUJJTHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-20-14-16-21(17-15-20)25-29-34-27(18-8-3-9-19-27)30(25)33-26(31)28-23-12-6-7-13-24(23)32-22-10-4-2-5-11-22/h2,4-7,10-17H,3,8-9,18-19H2,1H3,(H,28,31).
What are the key properties of [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate?
[3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate has a molecular weight of 457.53 g/mol, XLogP of 6.61, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-(2-phenoxyphenyl)carbamate is sourced from PubChem (CID 91514852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).