2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride

C15H23ClN2O2 — CID 119306238

IUPAC2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C15H22N2O2.ClH/c16-10-15(18)17-13-6-4-5-12(9-13)11-19-14-7-2-1-3-8-14;/h4-6,9,14H,1-3,7-8,10-11,16H2,(H,17,18);1H
InChIKeyLUTWIZQXCJLVRH-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.85
Rot. Bonds5

About 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride

2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride (PubChem CID 119306238) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
PubChem CID119306238
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cccc(COC2CCCCC2)c1
InChIInChI=1S/C15H22N2O2.ClH/c16-10-15(18)17-13-6-4-5-12(9-13)11-19-14-7-2-1-3-8-14;/h4-6,9,14H,1-3,7-8,10-11,16H2,(H,17,18);1H
InChIKeyLUTWIZQXCJLVRH-UHFFFAOYSA-N
XLogP2.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(cyclohexyloxymethyl)phenyl]butanamide;hydrochloride
CID 119306262
2-amino-N-[4-(cyclopentyloxymethyl)phenyl]acetamide;hydrochloride
CID 119330098
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride
CID 119753882
N-[3-(cyclohexyloxymethyl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119306246
N-[3-(cyclohexyloxymethyl)phenyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119753884
2-amino-N-[3-(cyclohexylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119329252
2-amino-N-[3-(cyclopentylsulfanylmethyl)phenyl]acetamide;hydrochloride
CID 119333538
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]-4-methylsulfonylbutanamide;hydrochloride
CID 119957019
(2R)-N-[3-(cyclohexyloxymethyl)phenyl]-2-methylsulfonylpropanamide
CID 97435359
N-[3-(aminomethyl)phenyl]-3-cyclobutyloxypropanamide
CID 55041403
2-hydroxy-N-[3-[(3-methylcyclohexyl)oxymethyl]phenyl]acetamide
CID 75437260
cyclopentyl N-[3-(aminomethyl)phenyl]carbamate
CID 43309315

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride (CID 119306238) is 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride is Cl.NCC(=O)Nc1cccc(COC2CCCCC2)c1.
What is the InChIKey of 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride?
The InChIKey is LUTWIZQXCJLVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c16-10-15(18)17-13-6-4-5-12(9-13)11-19-14-7-2-1-3-8-14;/h4-6,9,14H,1-3,7-8,10-11,16H2,(H,17,18);1H.
What are the key properties of 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride?
2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(cyclohexyloxymethyl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119306238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).