[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate

C9H14N4O4 — CID 131857041

IUPAC[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate
SMILESCCNC(=O)ON=C1CC(=O)N(C)C(=O)N1C
InChIInChI=1S/C9H14N4O4/c1-4-10-8(15)17-11-6-5-7(14)13(3)9(16)12(6)2/h4-5H2,1-3H3,(H,10,15)
InChIKeyFOZBBNAZDHLJQQ-UHFFFAOYSA-N
MW242.23 g/mol
LogP-0.04
Rot. Bonds2

About [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate

[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate (PubChem CID 131857041) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate.

Molecular Properties

Compound Name[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate
PubChem CID131857041
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate
SMILESCCNC(=O)ON=C1CC(=O)N(C)C(=O)N1C
InChIInChI=1S/C9H14N4O4/c1-4-10-8(15)17-11-6-5-7(14)13(3)9(16)12(6)2/h4-5H2,1-3H3,(H,10,15)
InChIKeyFOZBBNAZDHLJQQ-UHFFFAOYSA-N
XLogP-0.04
TPSA91.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(1,3-Dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] acetate
CID 131855838

Frequently Asked Questions

What is the IUPAC name of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate?
The IUPAC name of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate (CID 131857041) is [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate.
What is the SMILES notation for [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate?
The canonical SMILES for [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate is CCNC(=O)ON=C1CC(=O)N(C)C(=O)N1C.
What is the InChIKey of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate?
The InChIKey is FOZBBNAZDHLJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-4-10-8(15)17-11-6-5-7(14)13(3)9(16)12(6)2/h4-5H2,1-3H3,(H,10,15).
What are the key properties of [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate?
[(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate has a molecular weight of 242.23 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1,3-dimethyl-2,6-dioxo-1,3-diazinan-4-ylidene)amino] N-ethylcarbamate is sourced from PubChem (CID 131857041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).