2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate

C18H31N5O10 — CID 70906837

IUPAC2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate
SMILESCCn1c(=O)n(CCOC(=O)N(C)CCO)c(=O)n(CCOC(=O)N(CCO)CCO)c1=O
InChIInChI=1S/C18H31N5O10/c1-3-21-14(27)22(7-12-32-17(30)19(2)4-9-24)16(29)23(15(21)28)8-13-33-18(31)20(5-10-25)6-11-26/h24-26H,3-13H2,1-2H3
InChIKeyVUKLDDRRKXEOHP-UHFFFAOYSA-N
MW477.47 g/mol
LogP-3.32
Rot. Bonds13

About 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate

2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate (PubChem CID 70906837) has the molecular formula C18H31N5O10 and a molecular weight of 477.47 g/mol. Its IUPAC name is 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate
PubChem CID70906837
Molecular FormulaC18H31N5O10
Molecular Weight477.47 g/mol
Exact Mass477.21
IUPAC Name2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate
SMILESCCn1c(=O)n(CCOC(=O)N(C)CCO)c(=O)n(CCOC(=O)N(CCO)CCO)c1=O
InChIInChI=1S/C18H31N5O10/c1-3-21-14(27)22(7-12-32-17(30)19(2)4-9-24)16(29)23(15(21)28)8-13-33-18(31)20(5-10-25)6-11-26/h24-26H,3-13H2,1-2H3
InChIKeyVUKLDDRRKXEOHP-UHFFFAOYSA-N
XLogP-3.32
TPSA185.77 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.47
LogP ≤ 5-3.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate?
The IUPAC name of 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate (CID 70906837) is 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate is CCn1c(=O)n(CCOC(=O)N(C)CCO)c(=O)n(CCOC(=O)N(CCO)CCO)c1=O.
What is the InChIKey of 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate?
The InChIKey is VUKLDDRRKXEOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O10/c1-3-21-14(27)22(7-12-32-17(30)19(2)4-9-24)16(29)23(15(21)28)8-13-33-18(31)20(5-10-25)6-11-26/h24-26H,3-13H2,1-2H3.
What are the key properties of 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate?
2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate has a molecular weight of 477.47 g/mol, XLogP of -3.32, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-5-[2-[2-hydroxyethyl(methyl)carbamoyl]oxyethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl N,N-bis(2-hydroxyethyl)carbamate is sourced from PubChem (CID 70906837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).