N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide

C8H15N3O4 — CID 176792939

IUPACN-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide
SMILESCNC(=O)N(COC)C(=O)N(C)C(C)=O
InChIInChI=1S/C8H15N3O4/c1-6(12)10(3)8(14)11(5-15-4)7(13)9-2/h5H2,1-4H3,(H,9,13)
InChIKeyUGHKSSAMRMXSHL-UHFFFAOYSA-N
MW217.22 g/mol
LogP-0.17
Rot. Bonds2

About N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide

N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide (PubChem CID 176792939) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide
PubChem CID176792939
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC NameN-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide
SMILESCNC(=O)N(COC)C(=O)N(C)C(C)=O
InChIInChI=1S/C8H15N3O4/c1-6(12)10(3)8(14)11(5-15-4)7(13)9-2/h5H2,1-4H3,(H,9,13)
InChIKeyUGHKSSAMRMXSHL-UHFFFAOYSA-N
XLogP-0.17
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-0.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide?
The IUPAC name of N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide (CID 176792939) is N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide.
What is the SMILES notation for N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide?
The canonical SMILES for N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide is CNC(=O)N(COC)C(=O)N(C)C(C)=O.
What is the InChIKey of N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide?
The InChIKey is UGHKSSAMRMXSHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-6(12)10(3)8(14)11(5-15-4)7(13)9-2/h5H2,1-4H3,(H,9,13).
What are the key properties of N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide?
N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide has a molecular weight of 217.22 g/mol, XLogP of -0.17, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[methoxymethyl(methylcarbamoyl)carbamoyl]-N-methylacetamide is sourced from PubChem (CID 176792939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).