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

C19H26N4O4 — CID 87018972

IUPACN-cyclopentyl-N-cyclopropyl-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)N(C2CCCC2)C2CC2)c1=O
InChIInChI=1S/C19H26N4O4/c1-3-11-20-17(25)21(12-4-2)19(27)22(18(20)26)13-16(24)23(15-9-10-15)14-7-5-6-8-14/h3-4,14-15H,1-2,5-13H2
InChIKeyIUJGHQPZWMLLOY-UHFFFAOYSA-N
MW374.44 g/mol
LogP0.48
Rot. Bonds8

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

N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (PubChem CID 87018972) has the molecular formula C19H26N4O4 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide
PubChem CID87018972
Molecular FormulaC19H26N4O4
Molecular Weight374.44 g/mol
Exact Mass374.20
IUPAC NameN-cyclopentyl-N-cyclopropyl-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)N(C2CCCC2)C2CC2)c1=O
InChIInChI=1S/C19H26N4O4/c1-3-11-20-17(25)21(12-4-2)19(27)22(18(20)26)13-16(24)23(15-9-10-15)14-7-5-6-8-14/h3-4,14-15H,1-2,5-13H2
InChIKeyIUJGHQPZWMLLOY-UHFFFAOYSA-N
XLogP0.48
TPSA86.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide (CID 87018972) is N-cyclopentyl-N-cyclopropyl-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-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-N-cyclopropyl-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)N(C2CCCC2)C2CC2)c1=O.
What is the InChIKey of N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
The InChIKey is IUJGHQPZWMLLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O4/c1-3-11-20-17(25)21(12-4-2)19(27)22(18(20)26)13-16(24)23(15-9-10-15)14-7-5-6-8-14/h3-4,14-15H,1-2,5-13H2.
What are the key properties of N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide?
N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide has a molecular weight of 374.44 g/mol, XLogP of 0.48, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-cyclopropyl-2-[2,4,6-trioxo-3,5-bis(prop-2-enyl)-1,3,5-triazinan-1-yl]acetamide is sourced from PubChem (CID 87018972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).