4-amino-N-[2-(oxan-2-yl)ethyl]benzamide

C14H20N2O2 — CID 83633238

IUPAC4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCC2CCCCO2)cc1
InChIInChI=1S/C14H20N2O2/c15-12-6-4-11(5-7-12)14(17)16-9-8-13-3-1-2-10-18-13/h4-7,13H,1-3,8-10,15H2,(H,16,17)
InChIKeyHNNCZOPYAPETAB-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.96
Rot. Bonds4

About 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide

4-amino-N-[2-(oxan-2-yl)ethyl]benzamide (PubChem CID 83633238) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
PubChem CID83633238
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name4-amino-N-[2-(oxan-2-yl)ethyl]benzamide
SMILESNc1ccc(C(=O)NCCC2CCCCO2)cc1
InChIInChI=1S/C14H20N2O2/c15-12-6-4-11(5-7-12)14(17)16-9-8-13-3-1-2-10-18-13/h4-7,13H,1-3,8-10,15H2,(H,16,17)
InChIKeyHNNCZOPYAPETAB-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(oxan-2-yl)ethylcarbamoyl]benzoic acid
CID 106704122
N-[2-(oxan-2-yl)ethyl]-4-sulfamoylbenzamide
CID 103993185
4-hydrazinyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 62249331
4-amino-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 723405
3-amino-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915842
3-amino-4-methyl-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 54915859
3-iodo-N-[2-(oxan-2-yl)ethyl]benzamide
CID 103993198
3-(4-aminophenyl)-N-[2-(oxolan-2-yl)ethyl]propanamide
CID 61126143
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
N-[2-(oxolan-2-yl)ethyl]-4-(trifluoromethylsulfonyl)benzamide
CID 55631834
4-methylsulfanyl-N-[3-[(2S)-oxan-2-yl]propyl]benzamide
CID 97306681
6-oxo-N-[2-(oxolan-2-yl)ethyl]-1H-pyridine-3-carboxamide
CID 60734395

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide?
The IUPAC name of 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide (CID 83633238) is 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide.
What is the SMILES notation for 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide?
The canonical SMILES for 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide is Nc1ccc(C(=O)NCCC2CCCCO2)cc1.
What is the InChIKey of 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide?
The InChIKey is HNNCZOPYAPETAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-12-6-4-11(5-7-12)14(17)16-9-8-13-3-1-2-10-18-13/h4-7,13H,1-3,8-10,15H2,(H,16,17).
What are the key properties of 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide?
4-amino-N-[2-(oxan-2-yl)ethyl]benzamide has a molecular weight of 248.33 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(oxan-2-yl)ethyl]benzamide is sourced from PubChem (CID 83633238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).