1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

C33H42N10O9 — CID 15836290

IUPAC1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCN(CCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)CCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O
InChIInChI=1S/C33H42N10O9/c1-7-13-35-25(44)36(14-8-2)29(48)41(28(35)47)22-19-34(20-23-42-30(49)37(15-9-3)26(45)38(16-10-4)31(42)50)21-24-43-32(51)39(17-11-5)27(46)40(18-12-6)33(43)52/h7-12H,1-6,13-24H2
InChIKeyVVZXGWNKDMEWJR-UHFFFAOYSA-N
MW722.76 g/mol
LogP-3.04
Rot. Bonds21

About 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione

1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (PubChem CID 15836290) has the molecular formula C33H42N10O9 and a molecular weight of 722.76 g/mol. Its IUPAC name is 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
PubChem CID15836290
Molecular FormulaC33H42N10O9
Molecular Weight722.76 g/mol
Exact Mass722.31
IUPAC Name1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CCN(CCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)CCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O
InChIInChI=1S/C33H42N10O9/c1-7-13-35-25(44)36(14-8-2)29(48)41(28(35)47)22-19-34(20-23-42-30(49)37(15-9-3)26(45)38(16-10-4)31(42)50)21-24-43-32(51)39(17-11-5)27(46)40(18-12-6)33(43)52/h7-12H,1-6,13-24H2
InChIKeyVVZXGWNKDMEWJR-UHFFFAOYSA-N
XLogP-3.04
TPSA201.24 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds21
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.76
LogP ≤ 5-3.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione with MolForge

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Related Compounds

1,3-Bis(prop-2-enyl)-5-[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 20268126
1-[2-[3,5-bis[(E)-but-2-enyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis[(E)-but-2-enyl]-1,3,5-triazinane-2,4,6-trione
CID 20511981
1-[2-[3,5-Bis(but-2-enyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3,5-bis(but-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 53924219
1,3,5-Tris[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]-1,3,5-triazinane-2,4,6-trione
CID 156632553
1-[Bis[[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]methyl]phosphinothioylmethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione
CID 2783950
1,3-Bis(prop-2-enyl)-5-[[[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]-[[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]methyl]phosphinothioyl]methyl]-1,3,5-triazinane-2,4,6-trione
CID 3774339

Frequently Asked Questions

What is the IUPAC name of 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The IUPAC name of 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione (CID 15836290) is 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione.
What is the SMILES notation for 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The canonical SMILES for 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is C=CCn1c(=O)n(CC=C)c(=O)n(CCN(CCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)CCn2c(=O)n(CC=C)c(=O)n(CC=C)c2=O)c1=O.
What is the InChIKey of 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
The InChIKey is VVZXGWNKDMEWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N10O9/c1-7-13-35-25(44)36(14-8-2)29(48)41(28(35)47)22-19-34(20-23-42-30(49)37(15-9-3)26(45)38(16-10-4)31(42)50)21-24-43-32(51)39(17-11-5)27(46)40(18-12-6)33(43)52/h7-12H,1-6,13-24H2.
What are the key properties of 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione?
1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione has a molecular weight of 722.76 g/mol, XLogP of -3.04, 21 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[bis[2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]ethyl]amino]ethyl]-3,5-bis(prop-2-enyl)-1,3,5-triazinane-2,4,6-trione is sourced from PubChem (CID 15836290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).