2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate

C13H19N3O4 — CID 156546254

IUPAC2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCCOCCOC)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O4/c1-18-6-7-19-8-9-20-13(17)16-12(15)10-2-4-11(14)5-3-10/h2-5H,6-9,14H2,1H3,(H2,15,16,17)
InChIKeyLVXULKYDWKJYSM-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.98
Rot. Bonds7

About 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate

2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate (PubChem CID 156546254) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate.

Molecular Properties

Compound Name2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate
PubChem CID156546254
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate
SMILES[H]/N=C(\NC(=O)OCCOCCOC)c1ccc(N)cc1
InChIInChI=1S/C13H19N3O4/c1-18-6-7-19-8-9-20-13(17)16-12(15)10-2-4-11(14)5-3-10/h2-5H,6-9,14H2,1H3,(H2,15,16,17)
InChIKeyLVXULKYDWKJYSM-UHFFFAOYSA-N
XLogP0.98
TPSA106.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-ethoxyethyl N-(4-aminobenzenecarboximidoyl)carbamate
CID 142339408
2-methoxyethyl N-(benzenecarboximidoyl)carbamate
CID 173285751
1-[(4-aminobenzenecarboximidoyl)carbamoyloxy]ethyl 2-(2-methoxyethoxy)acetate
CID 142339513
1-[(4-aminobenzenecarboximidoyl)carbamoyloxy]ethyl 2-methylpropanoate
CID 142339502
ethyl N-(benzenecarboximidoyl)carbamate
CID 137321100
2-[2-[2-(4-aminobenzoyl)oxyethoxy]ethoxy]ethyl 4-aminobenzoate
CID 22467709
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2-(4-aminophenyl)acetate
CID 104563048
4-carbamimidoyl-N-[2-(2-methoxyethoxy)ethyl]benzamide
CID 20641922
butyl N-(pyridine-3-carboximidoyl)carbamate
CID 173285765
[2-(3-methoxypropylamino)-2-oxoethyl] 4-aminobenzoate
CID 60625420
tert-butyl N-[2-[2-[2-[(4-aminobenzoyl)amino]ethoxy]ethoxy]ethyl]carbamate
CID 102393692
2-[[4-(N-ethoxycarbonylcarbamimidoyl)benzoyl]amino]-3-oxo-2-phenoxypentanoic acid
CID 173314758

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate?
The IUPAC name of 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate (CID 156546254) is 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate.
What is the SMILES notation for 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate?
The canonical SMILES for 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate is [H]/N=C(\NC(=O)OCCOCCOC)c1ccc(N)cc1.
What is the InChIKey of 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate?
The InChIKey is LVXULKYDWKJYSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-18-6-7-19-8-9-20-13(17)16-12(15)10-2-4-11(14)5-3-10/h2-5H,6-9,14H2,1H3,(H2,15,16,17).
What are the key properties of 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate?
2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate has a molecular weight of 281.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)ethyl N-(4-aminobenzenecarboximidoyl)carbamate is sourced from PubChem (CID 156546254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).