8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C31H37N3O5 — CID 15951295

IUPAC8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccc2ccccc2c1CN1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCOC
InChIInChI=1S/C31H37N3O5/c1-4-39-28-13-12-24-9-5-6-11-26(24)27(28)22-32-16-14-31(15-17-32)29(35)33(30(36)34(31)18-19-37-2)21-23-8-7-10-25(20-23)38-3/h5-13,20H,4,14-19,21-22H2,1-3H3
InChIKeyOHGKJMFEAYLMGV-UHFFFAOYSA-N
MW531.65 g/mol
LogP4.69
Rot. Bonds10

About 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 15951295) has the molecular formula C31H37N3O5 and a molecular weight of 531.65 g/mol. Its IUPAC name is 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID15951295
Molecular FormulaC31H37N3O5
Molecular Weight531.65 g/mol
Exact Mass531.27
IUPAC Name8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCOc1ccc2ccccc2c1CN1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCOC
InChIInChI=1S/C31H37N3O5/c1-4-39-28-13-12-24-9-5-6-11-26(24)27(28)22-32-16-14-31(15-17-32)29(35)33(30(36)34(31)18-19-37-2)21-23-8-7-10-25(20-23)38-3/h5-13,20H,4,14-19,21-22H2,1-3H3
InChIKeyOHGKJMFEAYLMGV-UHFFFAOYSA-N
XLogP4.69
TPSA71.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.65
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 15951295) is 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCOc1ccc2ccccc2c1CN1CCC2(CC1)C(=O)N(Cc1cccc(OC)c1)C(=O)N2CCOC.
What is the InChIKey of 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OHGKJMFEAYLMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H37N3O5/c1-4-39-28-13-12-24-9-5-6-11-26(24)27(28)22-32-16-14-31(15-17-32)29(35)33(30(36)34(31)18-19-37-2)21-23-8-7-10-25(20-23)38-3/h5-13,20H,4,14-19,21-22H2,1-3H3.
What are the key properties of 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 531.65 g/mol, XLogP of 4.69, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2-ethoxynaphthalen-1-yl)methyl]-1-(2-methoxyethyl)-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 15951295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).