methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate

C10H20N4O3 — CID 21481935

IUPACmethyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate
SMILESC/N=C(/N(C)C(=O)NC(C)C)N(C)C(=O)OC
InChIInChI=1S/C10H20N4O3/c1-7(2)12-9(15)13(4)8(11-3)14(5)10(16)17-6/h7H,1-6H3,(H,12,15)/b11-8-
InChIKeyXKFCCULCUMOAHT-FLIBITNWSA-N
MW244.29 g/mol
LogP0.72
Rot. Bonds1

About methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate

methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate (PubChem CID 21481935) has the molecular formula C10H20N4O3 and a molecular weight of 244.29 g/mol. Its IUPAC name is methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate
PubChem CID21481935
Molecular FormulaC10H20N4O3
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Namemethyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate
SMILESC/N=C(/N(C)C(=O)NC(C)C)N(C)C(=O)OC
InChIInChI=1S/C10H20N4O3/c1-7(2)12-9(15)13(4)8(11-3)14(5)10(16)17-6/h7H,1-6H3,(H,12,15)/b11-8-
InChIKeyXKFCCULCUMOAHT-FLIBITNWSA-N
XLogP0.72
TPSA74.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate?
The IUPAC name of methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate (CID 21481935) is methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate.
What is the SMILES notation for methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate?
The canonical SMILES for methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate is C/N=C(/N(C)C(=O)NC(C)C)N(C)C(=O)OC.
What is the InChIKey of methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate?
The InChIKey is XKFCCULCUMOAHT-FLIBITNWSA-N. The full InChI is InChI=1S/C10H20N4O3/c1-7(2)12-9(15)13(4)8(11-3)14(5)10(16)17-6/h7H,1-6H3,(H,12,15)/b11-8-.
What are the key properties of methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate?
methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate has a molecular weight of 244.29 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[N,N'-dimethyl-N-(propan-2-ylcarbamoyl)carbamimidoyl]-N-methylcarbamate is sourced from PubChem (CID 21481935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).