2-methoxyethyl N-(3,5-diaminophenyl)carbamate

C10H15N3O3 — CID 151276673

IUPAC2-methoxyethyl N-(3,5-diaminophenyl)carbamate
SMILESCOCCOC(=O)Nc1cc(N)cc(N)c1
InChIInChI=1S/C10H15N3O3/c1-15-2-3-16-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3,11-12H2,1H3,(H,13,14)
InChIKeyNXMMEQSMYDZWRT-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.05
Rot. Bonds4

About 2-methoxyethyl N-(3,5-diaminophenyl)carbamate

2-methoxyethyl N-(3,5-diaminophenyl)carbamate (PubChem CID 151276673) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is 2-methoxyethyl N-(3,5-diaminophenyl)carbamate.

Molecular Properties

Compound Name2-methoxyethyl N-(3,5-diaminophenyl)carbamate
PubChem CID151276673
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Name2-methoxyethyl N-(3,5-diaminophenyl)carbamate
SMILESCOCCOC(=O)Nc1cc(N)cc(N)c1
InChIInChI=1S/C10H15N3O3/c1-15-2-3-16-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3,11-12H2,1H3,(H,13,14)
InChIKeyNXMMEQSMYDZWRT-UHFFFAOYSA-N
XLogP1.05
TPSA99.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-methoxyethyl N-(3,5-diaminophenyl)carbamate?
The IUPAC name of 2-methoxyethyl N-(3,5-diaminophenyl)carbamate (CID 151276673) is 2-methoxyethyl N-(3,5-diaminophenyl)carbamate.
What is the SMILES notation for 2-methoxyethyl N-(3,5-diaminophenyl)carbamate?
The canonical SMILES for 2-methoxyethyl N-(3,5-diaminophenyl)carbamate is COCCOC(=O)Nc1cc(N)cc(N)c1.
What is the InChIKey of 2-methoxyethyl N-(3,5-diaminophenyl)carbamate?
The InChIKey is NXMMEQSMYDZWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-15-2-3-16-10(14)13-9-5-7(11)4-8(12)6-9/h4-6H,2-3,11-12H2,1H3,(H,13,14).
What are the key properties of 2-methoxyethyl N-(3,5-diaminophenyl)carbamate?
2-methoxyethyl N-(3,5-diaminophenyl)carbamate has a molecular weight of 225.25 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl N-(3,5-diaminophenyl)carbamate is sourced from PubChem (CID 151276673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).