1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione

C24H30N6O5 — CID 146160314

IUPAC1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=CN2CC(=O)N2CC3(CCN(CCc4ccccc4)CC3)OC2=O)N(C)C1=O
InChIInChI=1S/C24H30N6O5/c1-26-20-19(21(32)27(2)22(26)33)29(16-25-20)14-18(31)30-15-24(35-23(30)34)9-12-28(13-10-24)11-8-17-6-4-3-5-7-17/h3-7,16,19-20H,8-15H2,1-2H3
InChIKeyBNAGOTOKTWVLDR-UHFFFAOYSA-N
MW482.54 g/mol
LogP0.60
Rot. Bonds5

About 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione

1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione (PubChem CID 146160314) has the molecular formula C24H30N6O5 and a molecular weight of 482.54 g/mol. Its IUPAC name is 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione.

Molecular Properties

Compound Name1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione
PubChem CID146160314
Molecular FormulaC24H30N6O5
Molecular Weight482.54 g/mol
Exact Mass482.23
IUPAC Name1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione
SMILESCN1C(=O)C2C(N=CN2CC(=O)N2CC3(CCN(CCc4ccccc4)CC3)OC2=O)N(C)C1=O
InChIInChI=1S/C24H30N6O5/c1-26-20-19(21(32)27(2)22(26)33)29(16-25-20)14-18(31)30-15-24(35-23(30)34)9-12-28(13-10-24)11-8-17-6-4-3-5-7-17/h3-7,16,19-20H,8-15H2,1-2H3
InChIKeyBNAGOTOKTWVLDR-UHFFFAOYSA-N
XLogP0.60
TPSA106.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.54
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione with MolForge

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Related Compounds

2-methyl-4,9-bis(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562325
8-[(4-benzylpiperazin-1-yl)methyl]-1,3-dimethyl-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione
CID 74570654
1,3-dimethyl-8-(morpholin-4-ylmethyl)-7-(2-phenylethyl)-4,5-dihydropurine-2,6-dione
CID 74688806
4-methyl-1'-(2-phenylethyl)spiro[3H-pyrido[3,2-f][1,4]oxazepine-2,4'-piperidine]-5-one
CID 54004122
9-(2-phenylethyl)-4-propyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 57186218
2-(2-hydroxyethyl)-4-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118561038
2-hydroxy-2,4-dimethyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 154663471
N-cyclopropyl-N-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecane-4-carboxamide
CID 118570199
3-(4-methylpiperazin-1-yl)-8-(2-phenylethyl)-1-oxa-8-azaspiro[4.5]decane
CID 134078972
4-(2-chlorophenyl)-2-methyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567608
2-(hydroxymethyl)-4-phenyl-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118562362
8-(2-hydroxybenzoyl)-3-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70717698

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione?
The IUPAC name of 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione (CID 146160314) is 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione.
What is the SMILES notation for 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione?
The canonical SMILES for 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione is CN1C(=O)C2C(N=CN2CC(=O)N2CC3(CCN(CCc4ccccc4)CC3)OC2=O)N(C)C1=O.
What is the InChIKey of 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione?
The InChIKey is BNAGOTOKTWVLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O5/c1-26-20-19(21(32)27(2)22(26)33)29(16-25-20)14-18(31)30-15-24(35-23(30)34)9-12-28(13-10-24)11-8-17-6-4-3-5-7-17/h3-7,16,19-20H,8-15H2,1-2H3.
What are the key properties of 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione?
1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione has a molecular weight of 482.54 g/mol, XLogP of 0.60, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-7-[2-oxo-2-[2-oxo-8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]ethyl]-4,5-dihydropurine-2,6-dione is sourced from PubChem (CID 146160314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).