N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride

C18H29ClN2O3 — CID 20995004

IUPACN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1ccccc1OCC(=O)NCC1(N(C)C)CCCCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-20(2)18(11-7-4-8-12-18)14-19-17(21)13-23-16-10-6-5-9-15(16)22-3;/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,19,21);1H
InChIKeyRDHQVBLAPUZOKK-UHFFFAOYSA-N
MW356.89 g/mol
LogP2.88
Rot. Bonds7

About N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride

N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride (PubChem CID 20995004) has the molecular formula C18H29ClN2O3 and a molecular weight of 356.89 g/mol. Its IUPAC name is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
PubChem CID20995004
Molecular FormulaC18H29ClN2O3
Molecular Weight356.89 g/mol
Exact Mass356.19
IUPAC NameN-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride
SMILESCOc1ccccc1OCC(=O)NCC1(N(C)C)CCCCC1.Cl
InChIInChI=1S/C18H28N2O3.ClH/c1-20(2)18(11-7-4-8-12-18)14-19-17(21)13-23-16-10-6-5-9-15(16)22-3;/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,19,21);1H
InChIKeyRDHQVBLAPUZOKK-UHFFFAOYSA-N
XLogP2.88
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.89
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxyphenoxy)-N-[(1-phenylcyclopentyl)methyl]acetamide
CID 18128274
2-(2-cyanophenoxy)-N-[[1-(dimethylamino)cyclobutyl]methyl]acetamide
CID 105417759
2-(4-aminophenoxy)-N-[[1-(dimethylamino)cyclopentyl]methyl]acetamide
CID 83107877
N-[(1-hydroxycyclohexyl)methyl]-2-(2-methylphenoxy)acetamide
CID 64868951
N-(cyclohexylmethyl)-2-(2-methoxyphenoxy)acetamide
CID 2083257
N-[1-(hydroxymethyl)cyclobutyl]-2-(2-methoxyphenoxy)acetamide
CID 115878022
N-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]methyl]-2-(2-methoxyphenoxy)acetamide
CID 55470208
N-[[1-(dimethylamino)cyclohexyl]methyl]-3,4,5-trimethoxybenzamide;hydrochloride
CID 21409874
N-[(1-hydroxycycloheptyl)methyl]-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 86974243
2-(2-methoxyphenoxy)-N-[[(3S)-3-methoxythiolan-3-yl]methyl]acetamide
CID 97414634
3-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]-3-sulfanylidenepropanamide
CID 83109897
N-[[1-(dimethylamino)cyclopentyl]methyl]-3,4,5-trimethoxybenzamide
CID 39915609

Frequently Asked Questions

What is the IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride (CID 20995004) is N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride is COc1ccccc1OCC(=O)NCC1(N(C)C)CCCCC1.Cl.
What is the InChIKey of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride?
The InChIKey is RDHQVBLAPUZOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3.ClH/c1-20(2)18(11-7-4-8-12-18)14-19-17(21)13-23-16-10-6-5-9-15(16)22-3;/h5-6,9-10H,4,7-8,11-14H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride?
N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride has a molecular weight of 356.89 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(2-methoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 20995004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).