2-methoxyethyl N-(benzenecarboximidoyl)carbamate

C11H14N2O3 — CID 173285751

IUPAC2-methoxyethyl N-(benzenecarboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCCOC)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-15-7-8-16-11(14)13-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,14)
InChIKeyAFIPHYYZKSZPHR-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.38
Rot. Bonds4

About 2-methoxyethyl N-(benzenecarboximidoyl)carbamate

2-methoxyethyl N-(benzenecarboximidoyl)carbamate (PubChem CID 173285751) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-methoxyethyl N-(benzenecarboximidoyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(benzenecarboximidoyl)carbamate
PubChem CID173285751
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-methoxyethyl N-(benzenecarboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCCOC)c1ccccc1
InChIInChI=1S/C11H14N2O3/c1-15-7-8-16-11(14)13-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,14)
InChIKeyAFIPHYYZKSZPHR-UHFFFAOYSA-N
XLogP1.38
TPSA71.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-methoxyethyl N-(benzenecarboximidoyl)carbamate 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

ethyl N-(benzenecarboximidoyl)carbamate
CID 137321100
2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate
CID 156546254
2-amino-N-(benzenecarboximidoyl)acetamide
CID 140551461
butyl N-(pyridine-3-carboximidoyl)carbamate
CID 173285765
tris(N-(benzenecarboximidoyl)benzenecarboximidamide);tris(platinum(2+));propan-2-one;hexachloride;hydrate
CID 139128011
azane;2-methoxyethyl benzoate
CID 174560204
1-[(4-aminobenzenecarboximidoyl)carbamoyloxy]ethyl 2-(2-methoxyethoxy)acetate
CID 142339513
2-[[4-(N-ethoxycarbonylcarbamimidoyl)benzoyl]amino]-3-oxo-2-phenoxypentanoic acid
CID 173314758
2-methoxy-3-(2-methoxyethoxy)-3-phenylprop-2-enoic acid
CID 67569545
benzyl N-(C-methoxycarbonimidoyl)carbamate
CID 139267837
benzyl (3R)-3-[3-[[4-(N-phenylmethoxycarbonylcarbamimidoyl)benzoyl]amino]propanoylamino]butanoate
CID 173250399
methyl N-[4-[[(1-benzylpyrazole-4-carbonyl)amino]methyl]benzenecarboximidoyl]carbamate
CID 149436505

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(benzenecarboximidoyl)carbamate?
The IUPAC name of 2-methoxyethyl N-(benzenecarboximidoyl)carbamate (CID 173285751) is 2-methoxyethyl N-(benzenecarboximidoyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(benzenecarboximidoyl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(benzenecarboximidoyl)carbamate is [H]/N=C(\NC(=O)OCCOC)c1ccccc1.
What is the InChIKey of 2-methoxyethyl N-(benzenecarboximidoyl)carbamate?
The InChIKey is AFIPHYYZKSZPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-7-8-16-11(14)13-10(12)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3,(H2,12,13,14).
What are the key properties of 2-methoxyethyl N-(benzenecarboximidoyl)carbamate?
2-methoxyethyl N-(benzenecarboximidoyl)carbamate has a molecular weight of 222.24 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(benzenecarboximidoyl)carbamate is sourced from PubChem (CID 173285751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).