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

C24H42N6O12 — CID 59245455

IUPACN-[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
SMILESO=C(COCCO)NCCCn1c(=O)n(CCCNC(=O)COCCO)c(=O)n(CCCNC(=O)COCCO)c1=O
InChIInChI=1S/C24H42N6O12/c31-10-13-40-16-19(34)25-4-1-7-28-22(37)29(8-2-5-26-20(35)17-41-14-11-32)24(39)30(23(28)38)9-3-6-27-21(36)18-42-15-12-33/h31-33H,1-18H2,(H,25,34)(H,26,35)(H,27,36)
InChIKeyGNGLUDAOBXNHEL-UHFFFAOYSA-N
MW606.63 g/mol
LogP-5.28
Rot. Bonds24

About 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

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 (PubChem CID 59245455) has the molecular formula C24H42N6O12 and a molecular weight of 606.63 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID59245455
Molecular FormulaC24H42N6O12
Molecular Weight606.63 g/mol
Exact Mass606.29
IUPAC NameN-[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
SMILESO=C(COCCO)NCCCn1c(=O)n(CCCNC(=O)COCCO)c(=O)n(CCCNC(=O)COCCO)c1=O
InChIInChI=1S/C24H42N6O12/c31-10-13-40-16-19(34)25-4-1-7-28-22(37)29(8-2-5-26-20(35)17-41-14-11-32)24(39)30(23(28)38)9-3-6-27-21(36)18-42-15-12-33/h31-33H,1-18H2,(H,25,34)(H,26,35)(H,27,36)
InChIKeyGNGLUDAOBXNHEL-UHFFFAOYSA-N
XLogP-5.28
TPSA241.68 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds24
Heavy Atoms42
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500606.63
LogP ≤ 5-5.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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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-methoxyethoxy)acetyl]amino]ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-2-(2-methoxyethoxy)acetamide
CID 59245416
5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoic acid
CID 141090456
methyl 5-[[2-(2-hydroxyethoxy)acetyl]amino]pentanoate
CID 23125009
2-[2-[2-oxo-2-[3-(2-oxopyrrolidin-1-yl)propylamino]ethoxy]ethoxy]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 574581
N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide
CID 59245409
6-[3,5-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamic acid
CID 66832214
N-[2-(4-chlorophenyl)ethyl]-2-(2-hydroxyethoxy)acetamide
CID 110678230
2-ethoxy-N-(3-hydroxypropyl)acetamide
CID 43419254
N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443379
ethane;N-ethyl-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetamide
CID 167443378
2-(2-methoxyethoxy)-N-(3-methoxypropyl)acetamide
CID 103601588

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(COCCO)NCCCn1c(=O)n(CCCNC(=O)COCCO)c(=O)n(CCCNC(=O)COCCO)c1=O.
What is the InChIKey of 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?
The InChIKey is GNGLUDAOBXNHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42N6O12/c31-10-13-40-16-19(34)25-4-1-7-28-22(37)29(8-2-5-26-20(35)17-41-14-11-32)24(39)30(23(28)38)9-3-6-27-21(36)18-42-15-12-33/h31-33H,1-18H2,(H,25,34)(H,26,35)(H,27,36).
What are the key properties of 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?
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 has a molecular weight of 606.63 g/mol, XLogP of -5.28, 24 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 59245455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).