2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate

C18H30N6O9 — CID 59245408

IUPAC2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCn1c(=O)n(CCOC(=O)N(C)C)c(=O)n(CCOC(=O)N(C)C)c1=O
InChIInChI=1S/C18H30N6O9/c1-19(2)16(28)31-10-7-22-13(25)23(8-11-32-17(29)20(3)4)15(27)24(14(22)26)9-12-33-18(30)21(5)6/h7-12H2,1-6H3
InChIKeyQQLIUPBDEHUIFD-UHFFFAOYSA-N
MW474.47 g/mol
LogP-1.73
Rot. Bonds9

About 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate

2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate (PubChem CID 59245408) has the molecular formula C18H30N6O9 and a molecular weight of 474.47 g/mol. Its IUPAC name is 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate.

Molecular Properties

Compound Name2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate
PubChem CID59245408
Molecular FormulaC18H30N6O9
Molecular Weight474.47 g/mol
Exact Mass474.21
IUPAC Name2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate
SMILESCN(C)C(=O)OCCn1c(=O)n(CCOC(=O)N(C)C)c(=O)n(CCOC(=O)N(C)C)c1=O
InChIInChI=1S/C18H30N6O9/c1-19(2)16(28)31-10-7-22-13(25)23(8-11-32-17(29)20(3)4)15(27)24(14(22)26)9-12-33-18(30)21(5)6/h7-12H2,1-6H3
InChIKeyQQLIUPBDEHUIFD-UHFFFAOYSA-N
XLogP-1.73
TPSA154.62 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.47
LogP ≤ 5-1.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

Analyze 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate 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

(2,4,6-Trioxo-1,3,5-triazinane-1,3,5-triyl)tri(ethane-2,1-diyl) triacetate
CID 21535324
Ethyl 2-[3,5-bis(2-ethoxy-2-oxoethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]acetate
CID 14956737
1,3,5-Tris(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 20643254
1-[2-[(5-Ethyl-4-oxo-1,3,5-oxadiazinan-3-yl)methoxy]ethyl]-3-(2-hydroxyethyl)-5-(2-methoxyethyl)-1,3,5-triazinane-2,4,6-trione
CID 59141663
2-[3,5-bis[2-[bis(2-hydroxyethyl)carbamoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate
CID 59245381
2-[3,5-bis[2-[bis(hydroxymethyl)carbamoyloxy]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(hydroxymethyl)carbamate
CID 59245395
2-[3,5-bis[2-(2-ethoxyethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-(2-ethoxyethyl)carbamate
CID 59245405
2-[3,5-bis[2-(methylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-methylcarbamate
CID 59245413
2-[3,5-bis[2-(ethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-ethylcarbamate
CID 59245417
2-[3-[2-[bis(2-hydroxyethyl)carbamoyloxy]ethyl]-5-(2-hydroxyethyl)-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate
CID 59245418
2-[3-[2-(diethylcarbamoyloxy)ethyl]-5-[2-(ethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-diethylcarbamate
CID 59245421
2-[3,5-bis[2-(2-methoxyethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N-(2-methoxyethyl)carbamate
CID 59245435

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate?
The IUPAC name of 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate (CID 59245408) is 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate.
What is the SMILES notation for 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate?
The canonical SMILES for 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate is CN(C)C(=O)OCCn1c(=O)n(CCOC(=O)N(C)C)c(=O)n(CCOC(=O)N(C)C)c1=O.
What is the InChIKey of 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate?
The InChIKey is QQLIUPBDEHUIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O9/c1-19(2)16(28)31-10-7-22-13(25)23(8-11-32-17(29)20(3)4)15(27)24(14(22)26)9-12-33-18(30)21(5)6/h7-12H2,1-6H3.
What are the key properties of 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate?
2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate has a molecular weight of 474.47 g/mol, XLogP of -1.73, 9 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-bis[2-(dimethylcarbamoyloxy)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-dimethylcarbamate is sourced from PubChem (CID 59245408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).