3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C28H32Cl2N2O3 — CID 143518394

IUPAC3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1N(CC2CCCC2)C(=O)C2(CCC(c3cccc(O)c3)CC2)N1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H32Cl2N2O3/c29-23-9-8-21(25(30)17-23)12-15-32-27(35)31(18-19-4-1-2-5-19)26(34)28(32)13-10-20(11-14-28)22-6-3-7-24(33)16-22/h3,6-9,16-17,19-20,33H,1-2,4-5,10-15,18H2
InChIKeyDPBMRVYPNVYHPM-UHFFFAOYSA-N
MW515.48 g/mol
LogP6.79
Rot. Bonds6

About 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 143518394) has the molecular formula C28H32Cl2N2O3 and a molecular weight of 515.48 g/mol. Its IUPAC name is 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID143518394
Molecular FormulaC28H32Cl2N2O3
Molecular Weight515.48 g/mol
Exact Mass514.18
IUPAC Name3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESO=C1N(CC2CCCC2)C(=O)C2(CCC(c3cccc(O)c3)CC2)N1CCc1ccc(Cl)cc1Cl
InChIInChI=1S/C28H32Cl2N2O3/c29-23-9-8-21(25(30)17-23)12-15-32-27(35)31(18-19-4-1-2-5-19)26(34)28(32)13-10-20(11-14-28)22-6-3-7-24(33)16-22/h3,6-9,16-17,19-20,33H,1-2,4-5,10-15,18H2
InChIKeyDPBMRVYPNVYHPM-UHFFFAOYSA-N
XLogP6.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.48
LogP ≤ 56.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 143518394) is 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is O=C1N(CC2CCCC2)C(=O)C2(CCC(c3cccc(O)c3)CC2)N1CCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is DPBMRVYPNVYHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O3/c29-23-9-8-21(25(30)17-23)12-15-32-27(35)31(18-19-4-1-2-5-19)26(34)28(32)13-10-20(11-14-28)22-6-3-7-24(33)16-22/h3,6-9,16-17,19-20,33H,1-2,4-5,10-15,18H2.
What are the key properties of 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 515.48 g/mol, XLogP of 6.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethyl)-1-[2-(2,4-dichlorophenyl)ethyl]-8-(3-hydroxyphenyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 143518394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).