2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

C14H20Cl2N2O3 — CID 103839864

IUPAC2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCN(C)CC(C)(O)CNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3/c1-14(20,9-18(2)3)8-17-13(19)7-21-10-4-5-11(15)12(16)6-10/h4-6,20H,7-9H2,1-3H3,(H,17,19)
InChIKeyPCPSEYUHRCMUOL-UHFFFAOYSA-N
MW335.23 g/mol
LogP1.80
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide

2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (PubChem CID 103839864) has the molecular formula C14H20Cl2N2O3 and a molecular weight of 335.23 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
PubChem CID103839864
Molecular FormulaC14H20Cl2N2O3
Molecular Weight335.23 g/mol
Exact Mass334.09
IUPAC Name2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
SMILESCN(C)CC(C)(O)CNC(=O)COc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H20Cl2N2O3/c1-14(20,9-18(2)3)8-17-13(19)7-21-10-4-5-11(15)12(16)6-10/h4-6,20H,7-9H2,1-3H3,(H,17,19)
InChIKeyPCPSEYUHRCMUOL-UHFFFAOYSA-N
XLogP1.80
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.23
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide
CID 103839500
3-(3,4-dichlorophenoxy)-N-(2-hydroxy-2-methylpropyl)propanamide
CID 65109633
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-(4-ethoxyphenoxy)acetamide
CID 134008150
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-2-(2-methylphenoxy)acetamide
CID 103839647
N-(2-chloroprop-2-enyl)-2-(3,4-dichlorophenoxy)acetamide
CID 115636790
3-(2,4-dichlorophenyl)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839553
2,5-dichloro-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]benzamide
CID 103839782
N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-3-(4-methoxyphenyl)propanamide
CID 103839704
3-(4-bromophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]propanamide
CID 103839832
N-(2-aminoethyl)-2-(3,4-dichlorophenoxy)acetamide;hydrochloride
CID 119382882
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]acetamide;hydrochloride
CID 119505786
2-(4-chlorophenoxy)-N-(2-hydroxy-2-methyl-4-methylsulfanylbutyl)acetamide
CID 71787306

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide (CID 103839864) is 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is CN(C)CC(C)(O)CNC(=O)COc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
The InChIKey is PCPSEYUHRCMUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3/c1-14(20,9-18(2)3)8-17-13(19)7-21-10-4-5-11(15)12(16)6-10/h4-6,20H,7-9H2,1-3H3,(H,17,19).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide?
2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide has a molecular weight of 335.23 g/mol, XLogP of 1.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]acetamide is sourced from PubChem (CID 103839864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).