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

C22H24ClN3O3 — CID 69278519

IUPAC[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)ON2C(c3ccc(Cl)cc3)=NOC23CCCCC3)cc1
InChIInChI=1S/C22H24ClN3O3/c1-16-5-7-17(8-6-16)15-24-21(27)28-26-20(18-9-11-19(23)12-10-18)25-29-22(26)13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,24,27)
InChIKeyWCQWRJLRCXUHCR-UHFFFAOYSA-N
MW413.91 g/mol
LogP5.14
Rot. Bonds4

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

[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate (PubChem CID 69278519) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate
PubChem CID69278519
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC Name[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate
SMILESCc1ccc(CNC(=O)ON2C(c3ccc(Cl)cc3)=NOC23CCCCC3)cc1
InChIInChI=1S/C22H24ClN3O3/c1-16-5-7-17(8-6-16)15-24-21(27)28-26-20(18-9-11-19(23)12-10-18)25-29-22(26)13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,24,27)
InChIKeyWCQWRJLRCXUHCR-UHFFFAOYSA-N
XLogP5.14
TPSA63.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.91
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate?
The IUPAC name of [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate (CID 69278519) is [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate.
What is the SMILES notation for [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate?
The canonical SMILES for [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate is Cc1ccc(CNC(=O)ON2C(c3ccc(Cl)cc3)=NOC23CCCCC3)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate?
The InChIKey is WCQWRJLRCXUHCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-16-5-7-17(8-6-16)15-24-21(27)28-26-20(18-9-11-19(23)12-10-18)25-29-22(26)13-3-2-4-14-22/h5-12H,2-4,13-15H2,1H3,(H,24,27).
What are the key properties of [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate?
[3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate has a molecular weight of 413.91 g/mol, XLogP of 5.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-1-oxa-2,4-diazaspiro[4.5]dec-2-en-4-yl] N-[(4-methylphenyl)methyl]carbamate is sourced from PubChem (CID 69278519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).