8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C20H31N3O3 — CID 26135023

IUPAC8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccoc1)CC2
InChIInChI=1S/C20H31N3O3/c1-15(2)5-9-22-19(25)23(16(3)4)18(24)20(22)7-10-21(11-8-20)13-17-6-12-26-14-17/h6,12,14-16H,5,7-11,13H2,1-4H3
InChIKeyKBCSPPRXKGCBBL-UHFFFAOYSA-N
MW361.49 g/mol
LogP3.33
Rot. Bonds6

About 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26135023) has the molecular formula C20H31N3O3 and a molecular weight of 361.49 g/mol. Its IUPAC name is 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26135023
Molecular FormulaC20H31N3O3
Molecular Weight361.49 g/mol
Exact Mass361.24
IUPAC Name8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccoc1)CC2
InChIInChI=1S/C20H31N3O3/c1-15(2)5-9-22-19(25)23(16(3)4)18(24)20(22)7-10-21(11-8-20)13-17-6-12-26-14-17/h6,12,14-16H,5,7-11,13H2,1-4H3
InChIKeyKBCSPPRXKGCBBL-UHFFFAOYSA-N
XLogP3.33
TPSA57.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-methylbutyl)-8-(2-phenylethyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26221742
8-[(3-ethoxy-4-methoxyphenyl)methyl]-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134314
1-(3-methylbutyl)-8-[(3R)-3-(5-methylfuran-2-yl)butyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134430
methyl 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45245848
8-[(4-chlorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224538
8-[(3-hydroxyphenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225968
8-[(3-chlorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225090
8-benzyl-1-(3-methylbutyl)-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140834
8-[(2,3-difluorophenyl)methyl]-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26134386
8-[(2,6-dimethoxyphenyl)methyl]-1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26133469
8-[(2,6-difluorophenyl)methyl]-3-ethyl-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229585
8-[(3-hydroxyphenyl)methyl]-3-[(3-methoxyphenyl)methyl]-1-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26132897

Frequently Asked Questions

What is the IUPAC name of 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26135023) is 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)CCN1C(=O)N(C(C)C)C(=O)C12CCN(Cc1ccoc1)CC2.
What is the InChIKey of 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KBCSPPRXKGCBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3/c1-15(2)5-9-22-19(25)23(16(3)4)18(24)20(22)7-10-21(11-8-20)13-17-6-12-26-14-17/h6,12,14-16H,5,7-11,13H2,1-4H3.
What are the key properties of 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 361.49 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(furan-3-ylmethyl)-1-(3-methylbutyl)-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26135023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).