2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride

C18H29ClN2O3 — CID 17053366

IUPAC2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cccc(CNC2CCCCCCC2)c1OCC(N)=O.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-22-16-11-7-8-14(18(16)23-13-17(19)21)12-20-15-9-5-3-2-4-6-10-15;/h7-8,11,15,20H,2-6,9-10,12-13H2,1H3,(H2,19,21);1H
InChIKeyDSWBNCFSWIZRGX-UHFFFAOYSA-N
MW356.89 g/mol
LogP3.18
Rot. Bonds7

About 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride

2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride (PubChem CID 17053366) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
PubChem CID17053366
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC Name2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride
SMILESCOc1cccc(CNC2CCCCCCC2)c1OCC(N)=O.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-22-16-11-7-8-14(18(16)23-13-17(19)21)12-20-15-9-5-3-2-4-6-10-15;/h7-8,11,15,20H,2-6,9-10,12-13H2,1H3,(H2,19,21);1H
InChIKeyDSWBNCFSWIZRGX-UHFFFAOYSA-N
XLogP3.18
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(cyclopentylamino)methyl]-6-methoxyphenoxy]acetic acid
CID 102535746
N-tert-butyl-2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide
CID 17053479
N-[(2-ethoxy-3-methoxyphenyl)methyl]cyclopentanamine
CID 4717334
N-[(2,3-dimethoxyphenyl)methyl]cyclopentanamine;hydrobromide
CID 75531449
N-[(2,3-dimethoxyphenyl)methyl]cyclopropanamine;hydrochloride
CID 17295654
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
N-[[2-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine;hydrochloride
CID 17294905
N-[[2-[(E)-3-chloro-2-methylprop-2-enoxy]-3-methoxyphenyl]methyl]cyclopropanamine
CID 106436826
2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
N-[[3-methoxy-2-[(4-methylphenyl)methoxy]phenyl]methyl]cyclopentanamine;hydrochloride
CID 17054592
N-[[3-methoxy-2-(methoxymethoxy)phenyl]methyl]cyclopropanamine
CID 65365555
N-[[2-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methyl]cyclooctanamine;hydrochloride
CID 17331509

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
The IUPAC name of 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride (CID 17053366) is 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride.
What is the SMILES notation for 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
The canonical SMILES for 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride is COc1cccc(CNC2CCCCCCC2)c1OCC(N)=O.Cl.
What is the InChIKey of 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
The InChIKey is DSWBNCFSWIZRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-22-16-11-7-8-14(18(16)23-13-17(19)21)12-20-15-9-5-3-2-4-6-10-15;/h7-8,11,15,20H,2-6,9-10,12-13H2,1H3,(H2,19,21);1H.
What are the key properties of 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride?
2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(cyclooctylamino)methyl]-6-methoxyphenoxy]acetamide;hydrochloride is sourced from PubChem (CID 17053366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).