(2-carbamoylphenoxy)carbamic acid

C8H8N2O4 — CID 174929401

IUPAC(2-carbamoylphenoxy)carbamic acid
SMILESNC(=O)c1ccccc1ONC(=O)O
InChIInChI=1S/C8H8N2O4/c9-7(11)5-3-1-2-4-6(5)14-10-8(12)13/h1-4,10H,(H2,9,11)(H,12,13)
InChIKeyITUVQMVWDBVAGR-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.35
Rot. Bonds3

About (2-carbamoylphenoxy)carbamic acid

(2-carbamoylphenoxy)carbamic acid (PubChem CID 174929401) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (2-carbamoylphenoxy)carbamic acid.

Molecular Properties

Compound Name(2-carbamoylphenoxy)carbamic acid
PubChem CID174929401
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(2-carbamoylphenoxy)carbamic acid
SMILESNC(=O)c1ccccc1ONC(=O)O
InChIInChI=1S/C8H8N2O4/c9-7(11)5-3-1-2-4-6(5)14-10-8(12)13/h1-4,10H,(H2,9,11)(H,12,13)
InChIKeyITUVQMVWDBVAGR-UHFFFAOYSA-N
XLogP0.35
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-benzamidooxybenzamide
CID 141083908
(2-carbamoylphenyl) hydrogen carbonate
CID 91199327
2-[(2-methylpropan-2-yl)oxy]benzamide
CID 23204949
2-(2,2-dichloroethenoxy)benzamide
CID 141007549
benzene-1,2-dicarboxamide;hydrazine
CID 158131121
CID 67588186
CID 67588186
2-(benzamidomethoxy)benzamide
CID 141178431
2-phenacyloxybenzamide
CID 43218588
2-methoxybenzamide;2,2,2-trifluoroacetic acid
CID 69456154
methyl 2-(2-carbamoylphenoxy)acetate
CID 2772027
2-(fluoromethoxy)benzamide;hydrochloride
CID 141068067
benzene;2-hydroxybenzamide
CID 157085280

Frequently Asked Questions

What is the IUPAC name of (2-carbamoylphenoxy)carbamic acid?
The IUPAC name of (2-carbamoylphenoxy)carbamic acid (CID 174929401) is (2-carbamoylphenoxy)carbamic acid.
What is the SMILES notation for (2-carbamoylphenoxy)carbamic acid?
The canonical SMILES for (2-carbamoylphenoxy)carbamic acid is NC(=O)c1ccccc1ONC(=O)O.
What is the InChIKey of (2-carbamoylphenoxy)carbamic acid?
The InChIKey is ITUVQMVWDBVAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c9-7(11)5-3-1-2-4-6(5)14-10-8(12)13/h1-4,10H,(H2,9,11)(H,12,13).
What are the key properties of (2-carbamoylphenoxy)carbamic acid?
(2-carbamoylphenoxy)carbamic acid has a molecular weight of 196.16 g/mol, XLogP of 0.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoylphenoxy)carbamic acid is sourced from PubChem (CID 174929401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).