methyl N'-(2-methoxyethylcarbamoyl)carbamimidate

C6H13N3O3 — CID 21442162

IUPACmethyl N'-(2-methoxyethylcarbamoyl)carbamimidate
SMILESCOCCNC(=O)/N=C(/N)OC
InChIInChI=1S/C6H13N3O3/c1-11-4-3-8-6(10)9-5(7)12-2/h3-4H2,1-2H3,(H3,7,8,9,10)
InChIKeyCKSJKHWMLQYEIZ-UHFFFAOYSA-N
MW175.19 g/mol
LogP-0.70
Rot. Bonds3

About methyl N'-(2-methoxyethylcarbamoyl)carbamimidate

methyl N'-(2-methoxyethylcarbamoyl)carbamimidate (PubChem CID 21442162) has the molecular formula C6H13N3O3 and a molecular weight of 175.19 g/mol. Its IUPAC name is methyl N'-(2-methoxyethylcarbamoyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(2-methoxyethylcarbamoyl)carbamimidate
PubChem CID21442162
Molecular FormulaC6H13N3O3
Molecular Weight175.19 g/mol
Exact Mass175.10
IUPAC Namemethyl N'-(2-methoxyethylcarbamoyl)carbamimidate
SMILESCOCCNC(=O)/N=C(/N)OC
InChIInChI=1S/C6H13N3O3/c1-11-4-3-8-6(10)9-5(7)12-2/h3-4H2,1-2H3,(H3,7,8,9,10)
InChIKeyCKSJKHWMLQYEIZ-UHFFFAOYSA-N
XLogP-0.70
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl N'-(2-methoxyethylcarbamoyl)carbamimidate 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

2-amino-N-(2-methoxyethyl)propanamide
CID 24703832
3-(1-aminoethylideneamino)-N-(2-methoxyethyl)propanamide
CID 115612361
N'-(2-methoxyethyl)ethanedithioamide
CID 12684688
2-hydroxy-N-(2-methoxyethyl)acetamide
CID 19987818
2-[[amino-(1-methoxypropan-2-ylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037070
methyl 3-[[amino-(2-methoxyethylamino)methylidene]amino]-2-methylpropanoate
CID 110930535
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
1-ethoxy-3-(2-methoxyethyl)urea
CID 146345452
2-amino-3-hydroxy-N-(2-methoxyethyl)propanamide
CID 59658304
N,N'-bis(2-methoxyethyl)hexanediamide
CID 2933923
N-(2-methoxyethyl)-2-oxoacetamide
CID 21031057
3-methoxypropylurea
CID 2064040

Frequently Asked Questions

What is the IUPAC name of methyl N'-(2-methoxyethylcarbamoyl)carbamimidate?
The IUPAC name of methyl N'-(2-methoxyethylcarbamoyl)carbamimidate (CID 21442162) is methyl N'-(2-methoxyethylcarbamoyl)carbamimidate.
What is the SMILES notation for methyl N'-(2-methoxyethylcarbamoyl)carbamimidate?
The canonical SMILES for methyl N'-(2-methoxyethylcarbamoyl)carbamimidate is COCCNC(=O)/N=C(/N)OC.
What is the InChIKey of methyl N'-(2-methoxyethylcarbamoyl)carbamimidate?
The InChIKey is CKSJKHWMLQYEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O3/c1-11-4-3-8-6(10)9-5(7)12-2/h3-4H2,1-2H3,(H3,7,8,9,10).
What are the key properties of methyl N'-(2-methoxyethylcarbamoyl)carbamimidate?
methyl N'-(2-methoxyethylcarbamoyl)carbamimidate has a molecular weight of 175.19 g/mol, XLogP of -0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(2-methoxyethylcarbamoyl)carbamimidate is sourced from PubChem (CID 21442162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).