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

C15H22N2O2 — CID 115160939

IUPAC3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESCNc1cccc(C(=O)NCCC2CCOCC2)c1
InChIInChI=1S/C15H22N2O2/c1-16-14-4-2-3-13(11-14)15(18)17-8-5-12-6-9-19-10-7-12/h2-4,11-12,16H,5-10H2,1H3,(H,17,18)
InChIKeyXPXTWBPFPMISIE-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.27
Rot. Bonds5

About 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide

3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide (PubChem CID 115160939) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
PubChem CID115160939
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide
SMILESCNc1cccc(C(=O)NCCC2CCOCC2)c1
InChIInChI=1S/C15H22N2O2/c1-16-14-4-2-3-13(11-14)15(18)17-8-5-12-6-9-19-10-7-12/h2-4,11-12,16H,5-10H2,1H3,(H,17,18)
InChIKeyXPXTWBPFPMISIE-UHFFFAOYSA-N
XLogP2.27
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyclohexylethyl)-3-(methylamino)benzamide
CID 115160938
3-(4-carbamoylanilino)-N-[2-(oxan-4-yl)ethyl]benzamide
CID 156755797
4-(methylamino)-N-[2-(oxolan-3-yl)ethyl]benzamide
CID 114131493
N-[2-(oxolan-3-yl)ethyl]-3-sulfanylbenzamide
CID 114130501
3-[3-(dimethylamino)phenyl]-N-[2-[(3S)-oxolan-3-yl]ethyl]benzamide
CID 125174087
N-[3-(2-cyclopentylethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42884229
3-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-4-[3-[2-(oxan-4-yl)ethylcarbamoyl]anilino]benzamide
CID 155586831
N-ethyl-3-(oxan-4-ylamino)benzamide
CID 43680696
N-(2-cyclobutylethyl)-4-(methylamino)benzamide
CID 113479358
2-(hydroxymethyl)-N-[2-(oxan-4-yl)ethyl]pyridine-4-carboxamide
CID 115116142
3-acetamido-N-[2-(oxolan-2-yl)ethyl]benzamide
CID 110745062
3-bromo-N-(2-cyclohexylethyl)benzamide
CID 63524561

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide?
The IUPAC name of 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide (CID 115160939) is 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide?
The canonical SMILES for 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide is CNc1cccc(C(=O)NCCC2CCOCC2)c1.
What is the InChIKey of 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide?
The InChIKey is XPXTWBPFPMISIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-14-4-2-3-13(11-14)15(18)17-8-5-12-6-9-19-10-7-12/h2-4,11-12,16H,5-10H2,1H3,(H,17,18).
What are the key properties of 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide?
3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide has a molecular weight of 262.35 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(oxan-4-yl)ethyl]benzamide is sourced from PubChem (CID 115160939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).