3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one

C24H31N3O3 — CID 123203483

IUPAC3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one
SMILESCOc1ccc2c(c1)C13CC4(CCC1(O)C1N(CC5CC5)CC1(C2)C3)CNC(=O)N4
InChIInChI=1S/C24H31N3O3/c1-30-17-5-4-16-9-21-11-23(18(16)8-17)12-22(13-25-20(28)26-22)6-7-24(23,29)19(21)27(14-21)10-15-2-3-15/h4-5,8,15,19,29H,2-3,6-7,9-14H2,1H3,(H2,25,26,28)
InChIKeyRWZFHYYENBBENK-UHFFFAOYSA-N
MW409.53 g/mol
LogP1.94
Rot. Bonds3

About 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one

3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one (PubChem CID 123203483) has the molecular formula C24H31N3O3 and a molecular weight of 409.53 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one
PubChem CID123203483
Molecular FormulaC24H31N3O3
Molecular Weight409.53 g/mol
Exact Mass409.24
IUPAC Name3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one
SMILESCOc1ccc2c(c1)C13CC4(CCC1(O)C1N(CC5CC5)CC1(C2)C3)CNC(=O)N4
InChIInChI=1S/C24H31N3O3/c1-30-17-5-4-16-9-21-11-23(18(16)8-17)12-22(13-25-20(28)26-22)6-7-24(23,29)19(21)27(14-21)10-15-2-3-15/h4-5,8,15,19,29H,2-3,6-7,9-14H2,1H3,(H2,25,26,28)
InChIKeyRWZFHYYENBBENK-UHFFFAOYSA-N
XLogP1.94
TPSA73.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.53
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one?
The IUPAC name of 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one (CID 123203483) is 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one?
The canonical SMILES for 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one is COc1ccc2c(c1)C13CC4(CCC1(O)C1N(CC5CC5)CC1(C2)C3)CNC(=O)N4.
What is the InChIKey of 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one?
The InChIKey is RWZFHYYENBBENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N3O3/c1-30-17-5-4-16-9-21-11-23(18(16)8-17)12-22(13-25-20(28)26-22)6-7-24(23,29)19(21)27(14-21)10-15-2-3-15/h4-5,8,15,19,29H,2-3,6-7,9-14H2,1H3,(H2,25,26,28).
What are the key properties of 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one?
3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one has a molecular weight of 409.53 g/mol, XLogP of 1.94, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-5-hydroxy-13-methoxyspiro[3-azapentacyclo[8.7.1.01,4.05,10.011,16]octadeca-11(16),12,14-triene-8,4'-imidazolidine]-2'-one is sourced from PubChem (CID 123203483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).