3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C17H24N4O2 — CID 94755094

IUPAC3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1CCC2(CC1)NC(=O)N(Cc1ccc(N)cc1)C2=O
InChIInChI=1S/C17H24N4O2/c1-2-9-20-10-7-17(8-11-20)15(22)21(16(23)19-17)12-13-3-5-14(18)6-4-13/h3-6H,2,7-12,18H2,1H3,(H,19,23)
InChIKeyTZXLZQZMXOXQBI-UHFFFAOYSA-N
MW316.40 g/mol
LogP1.57
Rot. Bonds4

About 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 94755094) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID94755094
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCN1CCC2(CC1)NC(=O)N(Cc1ccc(N)cc1)C2=O
InChIInChI=1S/C17H24N4O2/c1-2-9-20-10-7-17(8-11-20)15(22)21(16(23)19-17)12-13-3-5-14(18)6-4-13/h3-6H,2,7-12,18H2,1H3,(H,19,23)
InChIKeyTZXLZQZMXOXQBI-UHFFFAOYSA-N
XLogP1.57
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 94755094) is 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCN1CCC2(CC1)NC(=O)N(Cc1ccc(N)cc1)C2=O.
What is the InChIKey of 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is TZXLZQZMXOXQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-2-9-20-10-7-17(8-11-20)15(22)21(16(23)19-17)12-13-3-5-14(18)6-4-13/h3-6H,2,7-12,18H2,1H3,(H,19,23).
What are the key properties of 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 316.40 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminophenyl)methyl]-8-propyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94755094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).