8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C29H39N3O4 — CID 71013061

IUPAC8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1cc(N2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C29H39N3O4/c1-6-23-19-24(9-12-26(23)36-5)30-17-14-29(15-18-30)27(33)31(20-21(2)3)28(34)32(29)16-13-22-7-10-25(35-4)11-8-22/h7-12,19,21H,6,13-18,20H2,1-5H3
InChIKeyCTWKRENRMWIQQN-UHFFFAOYSA-N
MW493.65 g/mol
LogP4.77
Rot. Bonds9

About 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 71013061) has the molecular formula C29H39N3O4 and a molecular weight of 493.65 g/mol. Its IUPAC name is 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID71013061
Molecular FormulaC29H39N3O4
Molecular Weight493.65 g/mol
Exact Mass493.29
IUPAC Name8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCc1cc(N2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccc(OC)cc2)ccc1OC
InChIInChI=1S/C29H39N3O4/c1-6-23-19-24(9-12-26(23)36-5)30-17-14-29(15-18-30)27(33)31(20-21(2)3)28(34)32(29)16-13-22-7-10-25(35-4)11-8-22/h7-12,19,21H,6,13-18,20H2,1-5H3
InChIKeyCTWKRENRMWIQQN-UHFFFAOYSA-N
XLogP4.77
TPSA62.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.65
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 71013061) is 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCc1cc(N2CCC3(CC2)C(=O)N(CC(C)C)C(=O)N3CCc2ccc(OC)cc2)ccc1OC.
What is the InChIKey of 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CTWKRENRMWIQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3O4/c1-6-23-19-24(9-12-26(23)36-5)30-17-14-29(15-18-30)27(33)31(20-21(2)3)28(34)32(29)16-13-22-7-10-25(35-4)11-8-22/h7-12,19,21H,6,13-18,20H2,1-5H3.
What are the key properties of 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 493.65 g/mol, XLogP of 4.77, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-ethyl-4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 71013061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).