4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride

C15H23ClN2O2 — CID 120826642

IUPAC4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(OC2CCC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(16-2)10-17-15(18)12-6-8-14(9-7-12)19-13-4-3-5-13;/h6-9,11,13,16H,3-5,10H2,1-2H3,(H,17,18);1H
InChIKeyWXRUWNUGHVCLOA-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.38
Rot. Bonds6

About 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride

4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride (PubChem CID 120826642) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride.

Molecular Properties

Compound Name4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
PubChem CID120826642
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride
SMILESCNC(C)CNC(=O)c1ccc(OC2CCC2)cc1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11(16-2)10-17-15(18)12-6-8-14(9-7-12)19-13-4-3-5-13;/h6-9,11,13,16H,3-5,10H2,1-2H3,(H,17,18);1H
InChIKeyWXRUWNUGHVCLOA-UHFFFAOYSA-N
XLogP2.38
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(methylamino)propyl]-4-(oxan-4-yloxy)benzamide
CID 120827577
4-cyclohexyloxy-N-(2-hydroxypropyl)benzamide
CID 110466236
4-cyclopentyloxy-N-(2-methoxyethyl)benzamide
CID 34396260
4-methoxy-N-[2-[2-(methylamino)propylamino]-2-oxoethyl]benzamide
CID 120829043
4-N-(2,2-dimethylpropyl)-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide;hydrochloride
CID 120830958
N-(2-aminoethyl)-4-cyclohexyloxybenzamide
CID 110465257
4-cyclohexyloxy-N-[(2R)-1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 75424608
4-cyclopentyloxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 56557686
4-[(4-ethoxyphenyl)sulfonylamino]-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120829034
4-(acetamidomethyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120830510
N-[2-(methylamino)propyl]-4-(2-methylpropanoylamino)benzamide;hydrochloride
CID 120827850
4-N,4-N-diethyl-1-N-[2-(methylamino)propyl]benzene-1,4-dicarboxamide
CID 120828485

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The IUPAC name of 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride (CID 120826642) is 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride.
What is the SMILES notation for 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The canonical SMILES for 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride is CNC(C)CNC(=O)c1ccc(OC2CCC2)cc1.Cl.
What is the InChIKey of 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
The InChIKey is WXRUWNUGHVCLOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11(16-2)10-17-15(18)12-6-8-14(9-7-12)19-13-4-3-5-13;/h6-9,11,13,16H,3-5,10H2,1-2H3,(H,17,18);1H.
What are the key properties of 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride?
4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutyloxy-N-[2-(methylamino)propyl]benzamide;hydrochloride is sourced from PubChem (CID 120826642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).