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

C19H33N5O12 — CID 59245418

IUPAC2-[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
SMILESO=C(OCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)N(CCO)CCO)c1=O)N(CCO)CCO
InChIInChI=1S/C19H33N5O12/c25-8-1-20(2-9-26)18(33)35-13-6-23-15(30)22(5-12-29)16(31)24(17(23)32)7-14-36-19(34)21(3-10-27)4-11-28/h25-29H,1-14H2
InChIKeyQTWMGELQIOBEIS-UHFFFAOYSA-N
MW523.50 g/mol
LogP-4.99
Rot. Bonds16

About 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

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 (PubChem CID 59245418) has the molecular formula C19H33N5O12 and a molecular weight of 523.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID59245418
Molecular FormulaC19H33N5O12
Molecular Weight523.50 g/mol
Exact Mass523.21
IUPAC Name2-[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
SMILESO=C(OCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)N(CCO)CCO)c1=O)N(CCO)CCO
InChIInChI=1S/C19H33N5O12/c25-8-1-20(2-9-26)18(33)35-13-6-23-15(30)22(5-12-29)16(31)24(17(23)32)7-14-36-19(34)21(3-10-27)4-11-28/h25-29H,1-14H2
InChIKeyQTWMGELQIOBEIS-UHFFFAOYSA-N
XLogP-4.99
TPSA226.23 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.50
LogP ≤ 5-4.99
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(OCCn1c(=O)n(CCO)c(=O)n(CCOC(=O)N(CCO)CCO)c1=O)N(CCO)CCO.
What is the InChIKey of 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?
The InChIKey is QTWMGELQIOBEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O12/c25-8-1-20(2-9-26)18(33)35-13-6-23-15(30)22(5-12-29)16(31)24(17(23)32)7-14-36-19(34)21(3-10-27)4-11-28/h25-29H,1-14H2.
What are the key properties of 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?
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 has a molecular weight of 523.50 g/mol, XLogP of -4.99, 16 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59245418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).