N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

C17H23N5O5 — CID 7887021

IUPACN-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C17H23N5O5/c1-3-9-20-15(25)21(10-4-2)17(27)22(16(20)26)11-13(23)19-14(24)18-12-7-5-6-8-12/h3-4,12H,1-2,5-11H2,(H2,18,19,23,24)
InChIKeyYWARIYULFXEHJC-UHFFFAOYSA-N
MW377.40 g/mol
LogP-0.69
Rot. Bonds7

About N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide

N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (PubChem CID 7887021) has the molecular formula C17H23N5O5 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
PubChem CID7887021
Molecular FormulaC17H23N5O5
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC NameN-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
SMILESC=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NC2CCCC2)c1=O
InChIInChI=1S/C17H23N5O5/c1-3-9-20-15(25)21(10-4-2)17(27)22(16(20)26)11-13(23)19-14(24)18-12-7-5-6-8-12/h3-4,12H,1-2,5-11H2,(H2,18,19,23,24)
InChIKeyYWARIYULFXEHJC-UHFFFAOYSA-N
XLogP-0.69
TPSA124.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The IUPAC name of N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (CID 7887021) is N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide.
What is the SMILES notation for N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The canonical SMILES for N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide is C=CCn1c(=O)n(CC=C)c(=O)n(CC(=O)NC(=O)NC2CCCC2)c1=O.
What is the InChIKey of N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The InChIKey is YWARIYULFXEHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O5/c1-3-9-20-15(25)21(10-4-2)17(27)22(16(20)26)11-13(23)19-14(24)18-12-7-5-6-8-12/h3-4,12H,1-2,5-11H2,(H2,18,19,23,24).
What are the key properties of N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of -0.69, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide is sourced from PubChem (CID 7887021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).