2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide

C10H13N3O4 — CID 112674220

IUPAC2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C10H13N3O4/c1-16-6-2-3-8(11)7(4-6)10(15)13-17-5-9(12)14/h2-4H,5,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyDDTWHOOSBUWBBQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP-0.58
Rot. Bonds5

About 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide

2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide (PubChem CID 112674220) has the molecular formula C10H13N3O4 and a molecular weight of 239.23 g/mol. Its IUPAC name is 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide.

Molecular Properties

Compound Name2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide
PubChem CID112674220
Molecular FormulaC10H13N3O4
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide
SMILESCOc1ccc(N)c(C(=O)NOCC(N)=O)c1
InChIInChI=1S/C10H13N3O4/c1-16-6-2-3-8(11)7(4-6)10(15)13-17-5-9(12)14/h2-4H,5,11H2,1H3,(H2,12,14)(H,13,15)
InChIKeyDDTWHOOSBUWBBQ-UHFFFAOYSA-N
XLogP-0.58
TPSA116.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide?
The IUPAC name of 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide (CID 112674220) is 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide.
What is the SMILES notation for 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide?
The canonical SMILES for 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide is COc1ccc(N)c(C(=O)NOCC(N)=O)c1.
What is the InChIKey of 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide?
The InChIKey is DDTWHOOSBUWBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O4/c1-16-6-2-3-8(11)7(4-6)10(15)13-17-5-9(12)14/h2-4H,5,11H2,1H3,(H2,12,14)(H,13,15).
What are the key properties of 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide?
2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide has a molecular weight of 239.23 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-amino-2-oxoethoxy)-5-methoxybenzamide is sourced from PubChem (CID 112674220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).