ethyl N-(dimethoxymethylideneamino)carbamate

C6H12N2O4 — CID 151130925

IUPACethyl N-(dimethoxymethylideneamino)carbamate
SMILESCCOC(=O)NN=C(OC)OC
InChIInChI=1S/C6H12N2O4/c1-4-12-5(9)7-8-6(10-2)11-3/h4H2,1-3H3,(H,7,9)
InChIKeyMUEPKQPIFCMJQN-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.30
Rot. Bonds2

About ethyl N-(dimethoxymethylideneamino)carbamate

ethyl N-(dimethoxymethylideneamino)carbamate (PubChem CID 151130925) has the molecular formula C6H12N2O4 and a molecular weight of 176.17 g/mol. Its IUPAC name is ethyl N-(dimethoxymethylideneamino)carbamate.

Molecular Properties

Compound Nameethyl N-(dimethoxymethylideneamino)carbamate
PubChem CID151130925
Molecular FormulaC6H12N2O4
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Nameethyl N-(dimethoxymethylideneamino)carbamate
SMILESCCOC(=O)NN=C(OC)OC
InChIInChI=1S/C6H12N2O4/c1-4-12-5(9)7-8-6(10-2)11-3/h4H2,1-3H3,(H,7,9)
InChIKeyMUEPKQPIFCMJQN-UHFFFAOYSA-N
XLogP0.30
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Isocyanato urethane
CID 22345356
(N'-ethoxycarbonyl)-4-methylhydrazonic acid
CID 129876903
(1E)-1-ethoxy-N-ethoxycarbonylmethanehydrazonate
CID 135020273
methyl N'-dimethoxymethylenehydrazinecarboxylate
CID 10986557
ethyl N-(methylideneamino)carbamate
CID 19973519
methyl N'-dipropoxymethylenehydrazinecarboxylate
CID 22617107
ethyl N-[[amino(methoxy)methylidene]amino]carbamate
CID 53683059
ethoxy N-ethoxycarbonylmethanehydrazonate
CID 54301996
Ethyl (E)-2-(ethoxymethylene)hydrazine-1-carboxylate
CID 118933419
Ethyl(1E)-N-ethoxycarbonyl methanehydrazonate
CID 131746544
ethyl N-[(E)-[amino(methoxy)methylidene]amino]carbamate
CID 140378892
(E)-(ethyl N-(ethoxycarbonyl)methanehydrazonate)
CID 154130955

Frequently Asked Questions

What is the IUPAC name of ethyl N-(dimethoxymethylideneamino)carbamate?
The IUPAC name of ethyl N-(dimethoxymethylideneamino)carbamate (CID 151130925) is ethyl N-(dimethoxymethylideneamino)carbamate.
What is the SMILES notation for ethyl N-(dimethoxymethylideneamino)carbamate?
The canonical SMILES for ethyl N-(dimethoxymethylideneamino)carbamate is CCOC(=O)NN=C(OC)OC.
What is the InChIKey of ethyl N-(dimethoxymethylideneamino)carbamate?
The InChIKey is MUEPKQPIFCMJQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O4/c1-4-12-5(9)7-8-6(10-2)11-3/h4H2,1-3H3,(H,7,9).
What are the key properties of ethyl N-(dimethoxymethylideneamino)carbamate?
ethyl N-(dimethoxymethylideneamino)carbamate has a molecular weight of 176.17 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(dimethoxymethylideneamino)carbamate is sourced from PubChem (CID 151130925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).