3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione

C16H15N3O2 — CID 62882800

IUPAC3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione
SMILESNc1cccc(N2C(=O)NCC(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H15N3O2/c17-12-7-4-8-13(9-12)19-15(20)14(10-18-16(19)21)11-5-2-1-3-6-11/h1-9,14H,10,17H2,(H,18,21)
InChIKeyFAMUOKRLSYASJO-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.11
Rot. Bonds2

About 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione

3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione (PubChem CID 62882800) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione
PubChem CID62882800
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione
SMILESNc1cccc(N2C(=O)NCC(c3ccccc3)C2=O)c1
InChIInChI=1S/C16H15N3O2/c17-12-7-4-8-13(9-12)19-15(20)14(10-18-16(19)21)11-5-2-1-3-6-11/h1-9,14H,10,17H2,(H,18,21)
InChIKeyFAMUOKRLSYASJO-UHFFFAOYSA-N
XLogP2.11
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione?
The IUPAC name of 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione (CID 62882800) is 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione.
What is the SMILES notation for 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione?
The canonical SMILES for 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione is Nc1cccc(N2C(=O)NCC(c3ccccc3)C2=O)c1.
What is the InChIKey of 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione?
The InChIKey is FAMUOKRLSYASJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c17-12-7-4-8-13(9-12)19-15(20)14(10-18-16(19)21)11-5-2-1-3-6-11/h1-9,14H,10,17H2,(H,18,21).
What are the key properties of 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione?
3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione has a molecular weight of 281.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-5-phenyl-1,3-diazinane-2,4-dione is sourced from PubChem (CID 62882800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).