2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate

C33H42N6O12 — CID 23463424

IUPAC2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCOC(=O)C=C)c1nc(N(CCOC(=O)C=C)CCOC(=O)C=C)nc(N(CCOC(=O)C=C)CCOC(=O)C=C)n1
InChIInChI=1S/C33H42N6O12/c1-7-25(40)46-19-13-37(14-20-47-26(41)8-2)31-34-32(38(15-21-48-27(42)9-3)16-22-49-28(43)10-4)36-33(35-31)39(17-23-50-29(44)11-5)18-24-51-30(45)12-6/h7-12H,1-6,13-24H2
InChIKeyKAVYUZHZYXYELE-UHFFFAOYSA-N
MW714.73 g/mol
LogP0.67
Rot. Bonds27

About 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate

2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate (PubChem CID 23463424) has the molecular formula C33H42N6O12 and a molecular weight of 714.73 g/mol. Its IUPAC name is 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate.

Molecular Properties

Compound Name2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
PubChem CID23463424
Molecular FormulaC33H42N6O12
Molecular Weight714.73 g/mol
Exact Mass714.29
IUPAC Name2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
SMILESC=CC(=O)OCCN(CCOC(=O)C=C)c1nc(N(CCOC(=O)C=C)CCOC(=O)C=C)nc(N(CCOC(=O)C=C)CCOC(=O)C=C)n1
InChIInChI=1S/C33H42N6O12/c1-7-25(40)46-19-13-37(14-20-47-26(41)8-2)31-34-32(38(15-21-48-27(42)9-3)16-22-49-28(43)10-4)36-33(35-31)39(17-23-50-29(44)11-5)18-24-51-30(45)12-6/h7-12H,1-6,13-24H2
InChIKeyKAVYUZHZYXYELE-UHFFFAOYSA-N
XLogP0.67
TPSA206.19 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds27
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500714.73
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
The IUPAC name of 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate (CID 23463424) is 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate.
What is the SMILES notation for 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
The canonical SMILES for 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate is C=CC(=O)OCCN(CCOC(=O)C=C)c1nc(N(CCOC(=O)C=C)CCOC(=O)C=C)nc(N(CCOC(=O)C=C)CCOC(=O)C=C)n1.
What is the InChIKey of 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
The InChIKey is KAVYUZHZYXYELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H42N6O12/c1-7-25(40)46-19-13-37(14-20-47-26(41)8-2)31-34-32(38(15-21-48-27(42)9-3)16-22-49-28(43)10-4)36-33(35-31)39(17-23-50-29(44)11-5)18-24-51-30(45)12-6/h7-12H,1-6,13-24H2.
What are the key properties of 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate?
2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate has a molecular weight of 714.73 g/mol, XLogP of 0.67, 27 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,6-bis[bis(2-prop-2-enoyloxyethyl)amino]-1,3,5-triazin-2-yl]-(2-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate is sourced from PubChem (CID 23463424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).