3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

C18H24N2O2 — CID 112774081

IUPAC3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCc1ccc(CN2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-14-7-9-15(10-8-14)13-20-16(21)18(19-17(20)22)11-5-3-2-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,19,22)
InChIKeyPGHSMAXYDBMQDB-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.53
Rot. Bonds2

About 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione

3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (PubChem CID 112774081) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.

Molecular Properties

Compound Name3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
PubChem CID112774081
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
SMILESCc1ccc(CN2C(=O)NC3(CCCCCCC3)C2=O)cc1
InChIInChI=1S/C18H24N2O2/c1-14-7-9-15(10-8-14)13-20-16(21)18(19-17(20)22)11-5-3-2-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,19,22)
InChIKeyPGHSMAXYDBMQDB-UHFFFAOYSA-N
XLogP3.53
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562
3-[(4-phenylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 4825856
3-[[4-(hydroxymethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 110005115
3-[(4-methylphenyl)methyl]-8-methylsulfonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 42109557
7-[[4-(hydroxymethyl)phenyl]methyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 110005331
3-[[4-(trifluoromethyl)phenyl]methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 27247656
9-[(4-methylphenyl)methyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 64880018
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(3-methoxy-4-methylphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 100677498
3-[[6-(methylamino)-3-pyridinyl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 62207122
3-[(2-chloro-4-pyridinyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 51129751

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The IUPAC name of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione (CID 112774081) is 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione.
What is the SMILES notation for 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The canonical SMILES for 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is Cc1ccc(CN2C(=O)NC3(CCCCCCC3)C2=O)cc1.
What is the InChIKey of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
The InChIKey is PGHSMAXYDBMQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-14-7-9-15(10-8-14)13-20-16(21)18(19-17(20)22)11-5-3-2-4-6-12-18/h7-10H,2-6,11-13H2,1H3,(H,19,22).
What are the key properties of 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione?
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione has a molecular weight of 300.40 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione is sourced from PubChem (CID 112774081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).