1,5-dibenzyl-1,3,5-triazocane-2,4-dione

C19H21N3O2 — CID 10687375

IUPAC1,5-dibenzyl-1,3,5-triazocane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18-20-19(24)22(15-17-10-5-2-6-11-17)13-7-12-21(18)14-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,20,23,24)
InChIKeyMNEKADODZUQTFE-UHFFFAOYSA-N
MW323.40 g/mol
LogP3.22
Rot. Bonds4

About 1,5-dibenzyl-1,3,5-triazocane-2,4-dione

1,5-dibenzyl-1,3,5-triazocane-2,4-dione (PubChem CID 10687375) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,5-dibenzyl-1,3,5-triazocane-2,4-dione.

Molecular Properties

Compound Name1,5-dibenzyl-1,3,5-triazocane-2,4-dione
PubChem CID10687375
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1,5-dibenzyl-1,3,5-triazocane-2,4-dione
SMILESO=C1NC(=O)N(Cc2ccccc2)CCCN1Cc1ccccc1
InChIInChI=1S/C19H21N3O2/c23-18-20-19(24)22(15-17-10-5-2-6-11-17)13-7-12-21(18)14-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,20,23,24)
InChIKeyMNEKADODZUQTFE-UHFFFAOYSA-N
XLogP3.22
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,5-dibenzyl-1,3,5-triazocane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Urea, N,N'-bis(phenylmethyl)-
CID 72889
Urea, N,N''-1,6-hexanediylbis[N'-(phenylmethyl)-
CID 2818389
1,3-Dibenzyl-1,3-diazetidine-2,4-dione
CID 10038543
2,4-Dibenzyl-1,2,4-thiadiazolidine-3,5-dione
CID 6539140
1-(1-Benzyl-piperidin-4-yl)-5-methyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 9950165
1-Benzyl-3-(2-phenylethyl)urea
CID 3745478
1-(1-Benzyl-piperidin-4-yl)-5-ethyl-4-phenyl-1,3-dihydro-imidazol-2-one
CID 10522614
1-Benzyl-3-[3-[4-[3-(benzylcarbamoylamino)propylamino]butylamino]propyl]urea
CID 46867798
(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 52641321
1-[(1S)-1-phenylethyl]-3-(3-phenylpropyl)urea
CID 94519439
1-[(1S)-1-phenylpropyl]-3-(3-phenylpropyl)urea
CID 127044926
Mls002704122
CID 268729

Frequently Asked Questions

What is the IUPAC name of 1,5-dibenzyl-1,3,5-triazocane-2,4-dione?
The IUPAC name of 1,5-dibenzyl-1,3,5-triazocane-2,4-dione (CID 10687375) is 1,5-dibenzyl-1,3,5-triazocane-2,4-dione.
What is the SMILES notation for 1,5-dibenzyl-1,3,5-triazocane-2,4-dione?
The canonical SMILES for 1,5-dibenzyl-1,3,5-triazocane-2,4-dione is O=C1NC(=O)N(Cc2ccccc2)CCCN1Cc1ccccc1.
What is the InChIKey of 1,5-dibenzyl-1,3,5-triazocane-2,4-dione?
The InChIKey is MNEKADODZUQTFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-18-20-19(24)22(15-17-10-5-2-6-11-17)13-7-12-21(18)14-16-8-3-1-4-9-16/h1-6,8-11H,7,12-15H2,(H,20,23,24).
What are the key properties of 1,5-dibenzyl-1,3,5-triazocane-2,4-dione?
1,5-dibenzyl-1,3,5-triazocane-2,4-dione has a molecular weight of 323.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dibenzyl-1,3,5-triazocane-2,4-dione is sourced from PubChem (CID 10687375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).