N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide

C18H30N6O9 — CID 59245387

IUPACN-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide
SMILESO=C(CO)NCCCn1c(=O)n(CCCNC(=O)CO)c(=O)n(CCCNC(=O)CO)c1=O
InChIInChI=1S/C18H30N6O9/c25-10-13(28)19-4-1-7-22-16(31)23(8-2-5-20-14(29)11-26)18(33)24(17(22)32)9-3-6-21-15(30)12-27/h25-27H,1-12H2,(H,19,28)(H,20,29)(H,21,30)
InChIKeyRCZNLIAXODEAMN-UHFFFAOYSA-N
MW474.47 g/mol
LogP-5.33
Rot. Bonds15

About N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide

N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide (PubChem CID 59245387) has the molecular formula C18H30N6O9 and a molecular weight of 474.47 g/mol. Its IUPAC name is N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide
PubChem CID59245387
Molecular FormulaC18H30N6O9
Molecular Weight474.47 g/mol
Exact Mass474.21
IUPAC NameN-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide
SMILESO=C(CO)NCCCn1c(=O)n(CCCNC(=O)CO)c(=O)n(CCCNC(=O)CO)c1=O
InChIInChI=1S/C18H30N6O9/c25-10-13(28)19-4-1-7-22-16(31)23(8-2-5-20-14(29)11-26)18(33)24(17(22)32)9-3-6-21-15(30)12-27/h25-27H,1-12H2,(H,19,28)(H,20,29)(H,21,30)
InChIKeyRCZNLIAXODEAMN-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

Computed Properties (RDKit)

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

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Related Compounds

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
2-hydroxy-N-[3-[(2-hydroxyacetyl)amino]propyl]acetamide
CID 142043672
6-[3,5-bis[6-(carboxyamino)hexyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]hexylcarbamic acid
CID 66832214
2-hydroxy-N-[3-[4-[3-[(2-hydroxyacetyl)amino]propyl]piperazin-1-yl]propyl]acetamide
CID 142043493
2-hydroxy-N-[7-[(2-hydroxyacetyl)amino]heptyl]acetamide
CID 119089107
N-[2-[3,5-bis[2-(3-hydroxypropanoylamino)ethyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]ethyl]-3-hydroxypropanamide
CID 59245409
N-[4-(ethylamino)butyl]-2-hydroxyacetamide
CID 147841199
N-[10-[(2-hydroxyacetyl)amino]decyl]propanamide;neodymium
CID 171554602
actinium;N-[3-[4-(4-bromophenyl)-2-phenylimino-1,3-thiazol-3-yl]propyl]-2-hydroxyacetamide
CID 20815393
1-(3-triethoxysilylpropyl)-3-[6-[2,4,6-trioxo-3,5-bis[6-(3-triethoxysilylpropylcarbamoylamino)hexyl]-1,3,5-triazinan-1-yl]hexyl]urea
CID 100991329
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

Frequently Asked Questions

What is the IUPAC name of N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide?
The IUPAC name of 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) is N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide?
The canonical SMILES for N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide is O=C(CO)NCCCn1c(=O)n(CCCNC(=O)CO)c(=O)n(CCCNC(=O)CO)c1=O.
What is the InChIKey of N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide?
The InChIKey is RCZNLIAXODEAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N6O9/c25-10-13(28)19-4-1-7-22-16(31)23(8-2-5-20-14(29)11-26)18(33)24(17(22)32)9-3-6-21-15(30)12-27/h25-27H,1-12H2,(H,19,28)(H,20,29)(H,21,30).
What are the key properties of N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide?
N-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide 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-[3-[3,5-bis[3-[(2-hydroxyacetyl)amino]propyl]-2,4,6-trioxo-1,3,5-triazinan-1-yl]propyl]-2-hydroxyacetamide is sourced from PubChem (CID 59245387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).