3-(dimethylamino)-N-(oxan-2-yloxy)benzamide

C14H20N2O3 — CID 60612522

IUPAC3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
SMILESCN(C)c1cccc(C(=O)NOC2CCCCO2)c1
InChIInChI=1S/C14H20N2O3/c1-16(2)12-7-5-6-11(10-12)14(17)15-19-13-8-3-4-9-18-13/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyKJUYUSIOTXYAHX-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.94
Rot. Bonds4

About 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide

3-(dimethylamino)-N-(oxan-2-yloxy)benzamide (PubChem CID 60612522) has the molecular formula C14H20N2O3 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
PubChem CID60612522
Molecular FormulaC14H20N2O3
Molecular Weight264.33 g/mol
Exact Mass264.15
IUPAC Name3-(dimethylamino)-N-(oxan-2-yloxy)benzamide
SMILESCN(C)c1cccc(C(=O)NOC2CCCCO2)c1
InChIInChI=1S/C14H20N2O3/c1-16(2)12-7-5-6-11(10-12)14(17)15-19-13-8-3-4-9-18-13/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,15,17)
InChIKeyKJUYUSIOTXYAHX-UHFFFAOYSA-N
XLogP1.94
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[(S)-methylsulfinyl]methyl]-N-[(2S)-oxan-2-yl]oxybenzamide
CID 95156522
3-benzamido-4-methyl-N-[(2S)-oxan-2-yl]oxybenzamide
CID 52829145
4-(dimethylsulfamoyl)-N-[(2R)-oxan-2-yl]oxybenzamide
CID 94824413
4-(dimethylsulfamoyl)-N-(oxan-2-yloxy)benzamide
CID 51103221
3-[(3-methylphenyl)methoxy]-N-(oxan-2-yloxy)benzamide
CID 60612242
4-chloro-N-(oxan-2-yloxy)benzamide
CID 51103118
N-[(2R)-oxan-2-yl]oxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxamide
CID 52536439
N-[(2S)-oxan-2-yl]oxy-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 52536018
3,4,5-trimethoxy-N-(oxan-2-yloxy)benzamide
CID 51103131
3-(dimethylamino)-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 94022695
5-(oxan-2-yloxycarbamoyl)-1,3-dihydroisoindole-2-carboxylic acid
CID 123685392
1-methyl-N-[(2S)-oxan-2-yl]oxypyrazole-4-carboxamide
CID 94825511

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide?
The IUPAC name of 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide (CID 60612522) is 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide?
The canonical SMILES for 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide is CN(C)c1cccc(C(=O)NOC2CCCCO2)c1.
What is the InChIKey of 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide?
The InChIKey is KJUYUSIOTXYAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-16(2)12-7-5-6-11(10-12)14(17)15-19-13-8-3-4-9-18-13/h5-7,10,13H,3-4,8-9H2,1-2H3,(H,15,17).
What are the key properties of 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide?
3-(dimethylamino)-N-(oxan-2-yloxy)benzamide has a molecular weight of 264.33 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-(oxan-2-yloxy)benzamide is sourced from PubChem (CID 60612522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).