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

C18H26N4O4 — CID 78804990

IUPACN-(cyclohexylmethyl)-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)NCC2CCCCC2)c1=O
InChIInChI=1S/C18H26N4O4/c1-3-10-20-16(24)21(11-4-2)18(26)22(17(20)25)13-15(23)19-12-14-8-6-5-7-9-14/h3-4,14H,1-2,5-13H2,(H,19,23)
InChIKeyDFHNEEALTHPGHN-UHFFFAOYSA-N
MW362.43 g/mol
LogP0.24
Rot. Bonds8

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

N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (PubChem CID 78804990) has the molecular formula C18H26N4O4 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
PubChem CID78804990
Molecular FormulaC18H26N4O4
Molecular Weight362.43 g/mol
Exact Mass362.20
IUPAC NameN-(cyclohexylmethyl)-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)NCC2CCCCC2)c1=O
InChIInChI=1S/C18H26N4O4/c1-3-10-20-16(24)21(11-4-2)18(26)22(17(20)25)13-15(23)19-12-14-8-6-5-7-9-14/h3-4,14H,1-2,5-13H2,(H,19,23)
InChIKeyDFHNEEALTHPGHN-UHFFFAOYSA-N
XLogP0.24
TPSA95.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylcarbamoyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7887021
N-(cyclohexylmethyl)-2-(prop-2-enylamino)acetamide
CID 78908843
N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 87018972
N-[(4-fluorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7887005
N-[(4-chlorophenyl)methyl]-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
CID 7886969
2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(cyclohexylmethyl)acetamide
CID 16504836
N-(cyclohexylmethyl)-2-(3-ethyl-2,4,5-trioxoimidazolidin-1-yl)acetamide
CID 2518119
prop-2-enyl N-(cyclohexylmethyl)carbamate
CID 137320456
N-(cyclooctylmethyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetamide
CID 98284387
N-(cyclohexylmethyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 1459544
1-[2-(cyclohexylmethylamino)-2-oxoethyl]piperidine-4-carboxylic acid
CID 119907812
N-(cyclopentylmethyl)-2-(5,6-dichloro-1,3-dioxoisoindol-2-yl)acetamide
CID 39211611

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The IUPAC name of N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (CID 78804990) is N-(cyclohexylmethyl)-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-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The canonical SMILES for N-(cyclohexylmethyl)-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)NCC2CCCCC2)c1=O.
What is the InChIKey of N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The InChIKey is DFHNEEALTHPGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O4/c1-3-10-20-16(24)21(11-4-2)18(26)22(17(20)25)13-15(23)19-12-14-8-6-5-7-9-14/h3-4,14H,1-2,5-13H2,(H,19,23).
What are the key properties of N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide has a molecular weight of 362.43 g/mol, XLogP of 0.24, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide is sourced from PubChem (CID 78804990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).