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

C18H30N6O9 — CID 59245409

IUPACN-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCn1c(=O)n(CCNC(=O)CCO)c(=O)n(CCNC(=O)CCO)c1=O
InChIInChI=1S/C18H30N6O9/c25-10-1-13(28)19-4-7-22-16(31)23(8-5-20-14(29)2-11-26)18(33)24(17(22)32)9-6-21-15(30)3-12-27/h25-27H,1-12H2,(H,19,28)(H,20,29)(H,21,30)
InChIKeyXUEUQLHLLBHSCU-UHFFFAOYSA-N
MW474.47 g/mol
LogP-5.33
Rot. Bonds15

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

N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide (PubChem CID 59245409) has the molecular formula C18H30N6O9 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide.

Molecular Properties

Compound NameN-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide
PubChem CID59245409
Molecular FormulaC18H30N6O9
Molecular Weight474.47 g/mol
Exact Mass474.21
IUPAC NameN-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide
SMILESO=C(CCO)NCCn1c(=O)n(CCNC(=O)CCO)c(=O)n(CCNC(=O)CCO)c1=O
InChIInChI=1S/C18H30N6O9/c25-10-1-13(28)19-4-7-22-16(31)23(8-5-20-14(29)2-11-26)18(33)24(17(22)32)9-6-21-15(30)3-12-27/h25-27H,1-12H2,(H,19,28)(H,20,29)(H,21,30)
InChIKeyXUEUQLHLLBHSCU-UHFFFAOYSA-N
XLogP-5.33
TPSA213.99 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500474.47
LogP ≤ 5-5.33
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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Related Compounds

N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide
CID 59245387
N-[2-[3,5-bis[2-(2,2-dimethylpropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2,2-dimethylpropanamide
CID 121300676
N-[2-[3,5-bis[2-[[2-(2-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide
CID 59245416
N-[3-[3,5-bis[3-[[2-(2-hydroxyethoxy)acetyl]amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-(2-hydroxyethoxy)acetamide
CID 59245455
3-(3-hydroxypropanoylamino)propanoic acid
CID 117126681
3-(3-hydroxypropanoylamino)propanamide
CID 149237763
3-hydroxy-N-pentylpropanamide
CID 94252202
4-hydroxy-N-[2-(4-hydroxybutanoylamino)ethyl]butanamide
CID 95562402
6-[3,5-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamic acid
CID 66832214
3-hydroxy-N-pentadecylpropanamide
CID 11055663
N-(2-hydroxyethyl)-3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanamide
CID 110879152
4-hydroxy-N-[4-(4-hydroxybutanoylamino)butyl]butanamide
CID 6611551

Frequently Asked Questions

What is the IUPAC name of N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide?
The IUPAC name of N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide (CID 59245409) is N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide.
What is the SMILES notation for N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide?
The canonical SMILES for N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide is O=C(CCO)NCCn1c(=O)n(CCNC(=O)CCO)c(=O)n(CCNC(=O)CCO)c1=O.
What is the InChIKey of N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide?
The InChIKey is XUEUQLHLLBHSCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O9/c25-10-1-13(28)19-4-7-22-16(31)23(8-5-20-14(29)2-11-26)18(33)24(17(22)32)9-6-21-15(30)3-12-27/h25-27H,1-12H2,(H,19,28)(H,20,29)(H,21,30).
What are the key properties of N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide?
N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide has a molecular weight of 474.47 g/mol, XLogP of -5.33, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide is sourced from PubChem (CID 59245409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).