3-amino-2-(oxan-4-yloxy)benzamide

C12H16N2O3 — CID 112579800

IUPAC3-amino-2-(oxan-4-yloxy)benzamide
SMILESNC(=O)c1cccc(N)c1OC1CCOCC1
InChIInChI=1S/C12H16N2O3/c13-10-3-1-2-9(12(14)15)11(10)17-8-4-6-16-7-5-8/h1-3,8H,4-7,13H2,(H2,14,15)
InChIKeyRIHQBVCAFCSTSQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds3

About 3-amino-2-(oxan-4-yloxy)benzamide

3-amino-2-(oxan-4-yloxy)benzamide (PubChem CID 112579800) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-amino-2-(oxan-4-yloxy)benzamide.

Molecular Properties

Compound Name3-amino-2-(oxan-4-yloxy)benzamide
PubChem CID112579800
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name3-amino-2-(oxan-4-yloxy)benzamide
SMILESNC(=O)c1cccc(N)c1OC1CCOCC1
InChIInChI=1S/C12H16N2O3/c13-10-3-1-2-9(12(14)15)11(10)17-8-4-6-16-7-5-8/h1-3,8H,4-7,13H2,(H2,14,15)
InChIKeyRIHQBVCAFCSTSQ-UHFFFAOYSA-N
XLogP0.93
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-(oxan-4-yloxy)benzoic acid
CID 84699973
3-amino-2-cyclopentyloxybenzamide
CID 112579558
3-amino-2-(oxolan-3-yloxy)benzoic acid
CID 84688179
3-amino-2-(oxan-4-ylmethylamino)benzamide
CID 112578986
2-amino-6-(oxan-4-yloxy)benzoic acid
CID 107341552
oxan-4-yl 3-amino-2-chlorobenzoate
CID 112580257
2-(oxolan-3-yloxy)benzamide
CID 68643948
3-amino-2-(6-hydroxyhexoxy)benzamide
CID 114011440
3-methyl-2-[(3R)-oxolan-3-yl]oxyaniline
CID 166611345
3-amino-2-(1-methylpyrrolidin-3-yl)oxybenzoic acid
CID 117095909
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246
ethyl 3-amino-2-(1-methylpiperidin-4-yl)oxybenzoate
CID 115935772

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(oxan-4-yloxy)benzamide?
The IUPAC name of 3-amino-2-(oxan-4-yloxy)benzamide (CID 112579800) is 3-amino-2-(oxan-4-yloxy)benzamide.
What is the SMILES notation for 3-amino-2-(oxan-4-yloxy)benzamide?
The canonical SMILES for 3-amino-2-(oxan-4-yloxy)benzamide is NC(=O)c1cccc(N)c1OC1CCOCC1.
What is the InChIKey of 3-amino-2-(oxan-4-yloxy)benzamide?
The InChIKey is RIHQBVCAFCSTSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c13-10-3-1-2-9(12(14)15)11(10)17-8-4-6-16-7-5-8/h1-3,8H,4-7,13H2,(H2,14,15).
What are the key properties of 3-amino-2-(oxan-4-yloxy)benzamide?
3-amino-2-(oxan-4-yloxy)benzamide has a molecular weight of 236.27 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(oxan-4-yloxy)benzamide is sourced from PubChem (CID 112579800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).