N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride

C18H22ClNO2 — CID 164614215

IUPACN-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1ccccc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-13-8-7-9-14(2)17(13)21-12-15(3)19-18(20)16-10-5-4-6-11-16;/h4-11,15H,12H2,1-3H3,(H,19,20);1H
InChIKeyCHIIAQJAPKARFK-UHFFFAOYSA-N
MW319.83 g/mol
LogP3.92
Rot. Bonds5

About N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride

N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride (PubChem CID 164614215) has the molecular formula C18H22ClNO2 and a molecular weight of 319.83 g/mol. Its IUPAC name is N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
PubChem CID164614215
Molecular FormulaC18H22ClNO2
Molecular Weight319.83 g/mol
Exact Mass319.13
IUPAC NameN-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride
SMILESCc1cccc(C)c1OCC(C)NC(=O)c1ccccc1.Cl
InChIInChI=1S/C18H21NO2.ClH/c1-13-8-7-9-14(2)17(13)21-12-15(3)19-18(20)16-10-5-4-6-11-16;/h4-11,15H,12H2,1-3H3,(H,19,20);1H
InChIKeyCHIIAQJAPKARFK-UHFFFAOYSA-N
XLogP3.92
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.83
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide
CID 139460648
2-[2-[[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]carbamoyl]anilino]acetic acid
CID 95122811
N-[1-(2,6-dimethylphenoxy)propan-2-yl]-2-(methylamino)acetamide;hydrochloride
CID 119745978
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]pyridine-4-carboxylic acid
CID 122055375
1-benzyl-3-[1-(2,6-dimethylphenoxy)propan-2-yl]urea
CID 3391401
1-(2-chloro-6-methylphenoxy)propan-2-ylcarbamic acid
CID 54136497
5-chloro-N-[1-(2,6-dimethylphenoxy)propan-2-yl]thiophene-2-carboxamide
CID 3668905
N-(1-ethoxypropan-2-yl)benzamide
CID 47903637
N-[(2S)-1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 136710891
3-chloro-N-[1-(2-methylphenoxy)propan-2-yl]benzamide
CID 50874611
2-(cyclopropylmethylamino)-N-[1-(2,6-dimethylphenoxy)propan-2-yl]acetamide;hydrochloride
CID 119745985
2-[1-(2,6-dimethylphenoxy)propan-2-ylcarbamoyl]cyclobutane-1-carboxylic acid
CID 120975441

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride?
The IUPAC name of N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride (CID 164614215) is N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride.
What is the SMILES notation for N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride?
The canonical SMILES for N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride is Cc1cccc(C)c1OCC(C)NC(=O)c1ccccc1.Cl.
What is the InChIKey of N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride?
The InChIKey is CHIIAQJAPKARFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO2.ClH/c1-13-8-7-9-14(2)17(13)21-12-15(3)19-18(20)16-10-5-4-6-11-16;/h4-11,15H,12H2,1-3H3,(H,19,20);1H.
What are the key properties of N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride?
N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride has a molecular weight of 319.83 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,6-dimethylphenoxy)propan-2-yl]benzamide;hydrochloride is sourced from PubChem (CID 164614215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).