N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride

C16H26Cl2N2O2 — CID 138396832

IUPACN-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(C)C(C)COc1ccccc1Cl.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-5-19(6-2)11-16(20)18(4)13(3)12-21-15-10-8-7-9-14(15)17;/h7-10,13H,5-6,11-12H2,1-4H3;1H
InChIKeyCTPNAMKZKVMVNZ-UHFFFAOYSA-N
MW349.30 g/mol
LogP3.33
Rot. Bonds8

About N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride

N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride (PubChem CID 138396832) has the molecular formula C16H26Cl2N2O2 and a molecular weight of 349.30 g/mol. Its IUPAC name is N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride
PubChem CID138396832
Molecular FormulaC16H26Cl2N2O2
Molecular Weight349.30 g/mol
Exact Mass348.14
IUPAC NameN-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride
SMILESCCN(CC)CC(=O)N(C)C(C)COc1ccccc1Cl.Cl
InChIInChI=1S/C16H25ClN2O2.ClH/c1-5-19(6-2)11-16(20)18(4)13(3)12-21-15-10-8-7-9-14(15)17;/h7-10,13H,5-6,11-12H2,1-4H3;1H
InChIKeyCTPNAMKZKVMVNZ-UHFFFAOYSA-N
XLogP3.33
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.30
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
(2R)-1-(2-chlorophenoxy)-3-(diethylamino)propan-2-ol
CID 7185787
(2S)-1-(2-chlorophenoxy)propan-2-amine
CID 42221597
2-(2-chlorophenoxy)-N,N-dimethylacetamide
CID 28639790
2-[butan-2-yl-[2-(2-chlorophenoxy)acetyl]amino]acetic acid
CID 60829928
1-(2-chlorophenoxy)-5-methylhexane-2,3-diol
CID 118334255
(2S)-1-(2-chlorophenoxy)-3-(dimethylamino)propan-2-ol
CID 40540867
1-[bis(2-methylpropyl)amino]-3-(2-chlorophenoxy)propan-2-ol
CID 2914248
3-(2-chlorophenoxy)-N-[2-(diethylamino)ethyl]propanamide
CID 108789454
ethyl 2-[[2-(2-chlorophenoxy)acetyl]-propan-2-ylamino]acetate
CID 61022317
2-(2-chlorophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)acetamide
CID 78762100
[(2S)-1-(2-chlorophenoxy)propan-2-yl]boronic acid
CID 124673132

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride?
The IUPAC name of N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride (CID 138396832) is N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride.
What is the SMILES notation for N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride?
The canonical SMILES for N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride is CCN(CC)CC(=O)N(C)C(C)COc1ccccc1Cl.Cl.
What is the InChIKey of N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride?
The InChIKey is CTPNAMKZKVMVNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O2.ClH/c1-5-19(6-2)11-16(20)18(4)13(3)12-21-15-10-8-7-9-14(15)17;/h7-10,13H,5-6,11-12H2,1-4H3;1H.
What are the key properties of N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride?
N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride has a molecular weight of 349.30 g/mol, XLogP of 3.33, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenoxy)propan-2-yl]-2-(diethylamino)-N-methylacetamide;hydrochloride is sourced from PubChem (CID 138396832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).