1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione

C25H35N3O3 — CID 21149970

IUPAC1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(CC2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C25H35N3O3/c1-26(2)19-15-13-18(14-16-19)17-22-23(29)27(20-9-5-3-6-10-20)25(31)28(24(22)30)21-11-7-4-8-12-21/h13-16,20-22H,3-12,17H2,1-2H3
InChIKeyYZJGYZJSYDEHTP-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.37
Rot. Bonds5

About 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione

1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 21149970) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione
PubChem CID21149970
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC Name1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione
SMILESCN(C)c1ccc(CC2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1
InChIInChI=1S/C25H35N3O3/c1-26(2)19-15-13-18(14-16-19)17-22-23(29)27(20-9-5-3-6-10-20)25(31)28(24(22)30)21-11-7-4-8-12-21/h13-16,20-22H,3-12,17H2,1-2H3
InChIKeyYZJGYZJSYDEHTP-UHFFFAOYSA-N
XLogP4.37
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione (CID 21149970) is 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione is CN(C)c1ccc(CC2C(=O)N(C3CCCCC3)C(=O)N(C3CCCCC3)C2=O)cc1.
What is the InChIKey of 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is YZJGYZJSYDEHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-26(2)19-15-13-18(14-16-19)17-22-23(29)27(20-9-5-3-6-10-20)25(31)28(24(22)30)21-11-7-4-8-12-21/h13-16,20-22H,3-12,17H2,1-2H3.
What are the key properties of 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione?
1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 425.57 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-5-[[4-(dimethylamino)phenyl]methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 21149970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).