1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H21N3O3 — CID 27377653

IUPAC1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1
InChIInChI=1S/C17H21N3O3/c1-12-5-4-6-13(11-12)14(21)20-9-7-17(8-10-20)15(22)18(2)16(23)19(17)3/h4-6,11H,7-10H2,1-3H3
InChIKeyMRCYNNNBAAOPQA-UHFFFAOYSA-N
MW315.37 g/mol
LogP1.49
Rot. Bonds1

About 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27377653) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27377653
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCc1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1
InChIInChI=1S/C17H21N3O3/c1-12-5-4-6-13(11-12)14(21)20-9-7-17(8-10-20)15(22)18(2)16(23)19(17)3/h4-6,11H,7-10H2,1-3H3
InChIKeyMRCYNNNBAAOPQA-UHFFFAOYSA-N
XLogP1.49
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-[3-(2-fluoro-4-hydroxyphenyl)benzoyl]-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 169415501
1,3-dimethyl-8-[4-(5-methylfuran-2-yl)benzoyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 131916713
8-(furan-2-carbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 27377648
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
3-methyl-8-[3-methyl-5-(trifluoromethyl)benzoyl]-1-phenyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 59872168
(4S)-2-methyl-9-(3-methylbenzoyl)-4-phenyl-2,9-diazaspiro[5.5]undecan-3-one
CID 97194947
[4-(3-methylbenzoyl)piperazin-1-yl]-pyridin-4-ylmethanone
CID 84513805
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(3-methylbenzoyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 125009214
8-(3-methylbenzoyl)-3-phenyl-1,8-diazaspiro[4.5]decan-2-one
CID 72865421
[4-(3-methylbenzoyl)-1-thia-4,8-diazaspiro[4.5]decan-8-yl]-(4-methylphenyl)methanone
CID 42774046
7-(3-methylbenzoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996277

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27377653) is 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is Cc1cccc(C(=O)N2CCC3(CC2)C(=O)N(C)C(=O)N3C)c1.
What is the InChIKey of 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is MRCYNNNBAAOPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12-5-4-6-13(11-12)14(21)20-9-7-17(8-10-20)15(22)18(2)16(23)19(17)3/h4-6,11H,7-10H2,1-3H3.
What are the key properties of 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 315.37 g/mol, XLogP of 1.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-8-(3-methylbenzoyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27377653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).