3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C16H21N3O2 — CID 43509213

IUPAC3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1c(N)cccc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-11-12(6-5-7-13(11)17)10-19-14(20)16(18-15(19)21)8-3-2-4-9-16/h5-7H,2-4,8-10,17H2,1H3,(H,18,21)
InChIKeyHXZIMCDYRJIZAS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds2

About 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 43509213) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID43509213
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCc1c(N)cccc1CN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C16H21N3O2/c1-11-12(6-5-7-13(11)17)10-19-14(20)16(18-15(19)21)8-3-2-4-9-16/h5-7H,2-4,8-10,17H2,1H3,(H,18,21)
InChIKeyHXZIMCDYRJIZAS-UHFFFAOYSA-N
XLogP2.33
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-amino-6-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 43349700
3-[(6-amino-2-pyridinyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 79232630
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 112774081
3-[(4-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 4810094
3-(quinolin-8-ylmethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 17450906
3-[(3-bromophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47094861
3-[(3-chlorophenyl)methyl]-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 2527738
3-[(2-cyclobutyloxyphenyl)methyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 75517307
3-[(2,3-dichlorophenyl)methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 107309588
3-[(5-bromo-2-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17428005
3-[(2-amino-6-bromophenyl)methyl]-8-oxa-1,3-diazaspiro[4.5]decane-2,4-dione
CID 106528049
3-[(4-methoxyphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 130201562

Frequently Asked Questions

What is the IUPAC name of 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 43509213) is 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is Cc1c(N)cccc1CN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HXZIMCDYRJIZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-12(6-5-7-13(11)17)10-19-14(20)16(18-15(19)21)8-3-2-4-9-16/h5-7H,2-4,8-10,17H2,1H3,(H,18,21).
What are the key properties of 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 287.36 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-amino-2-methylphenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 43509213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).