N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride

C12H18Cl2N2O2 — CID 119583328

IUPACN-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)COc1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9(7-14)15(2)12(16)8-17-11-6-4-3-5-10(11)13;/h3-6,9H,7-8,14H2,1-2H3;1H
InChIKeyVORQFHHKFMPVST-UHFFFAOYSA-N
MW293.19 g/mol
LogP1.95
Rot. Bonds5

About N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride

N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride (PubChem CID 119583328) has the molecular formula C12H18Cl2N2O2 and a molecular weight of 293.19 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
PubChem CID119583328
Molecular FormulaC12H18Cl2N2O2
Molecular Weight293.19 g/mol
Exact Mass292.07
IUPAC NameN-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
SMILESCC(CN)N(C)C(=O)COc1ccccc1Cl.Cl
InChIInChI=1S/C12H17ClN2O2.ClH/c1-9(7-14)15(2)12(16)8-17-11-6-4-3-5-10(11)13;/h3-6,9H,7-8,14H2,1-2H3;1H
InChIKeyVORQFHHKFMPVST-UHFFFAOYSA-N
XLogP1.95
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.19
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2,4-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119581253
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584124
N-(1-aminopropan-2-yl)-2-(3,5-dichlorophenoxy)-N-methylacetamide;hydrochloride
CID 119582731
N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride
CID 138396832
N-(1-aminopropan-2-yl)-2-(2,4-dimethylphenoxy)-N-methylacetamide;hydrochloride
CID 119583890
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
2-(2-ethoxyphenoxy)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 112704674
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
N-butan-2-yl-2-(2-ethylphenoxy)-N-methylacetamide
CID 78853919
N-(1-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride (CID 119583328) is N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride is CC(CN)N(C)C(=O)COc1ccccc1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride?
The InChIKey is VORQFHHKFMPVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O2.ClH/c1-9(7-14)15(2)12(16)8-17-11-6-4-3-5-10(11)13;/h3-6,9H,7-8,14H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride?
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride has a molecular weight of 293.19 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 119583328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).