N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide

C12H16Cl2N2O2 — CID 57406794

IUPACN-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)NCC(Oc1ccc(Cl)cc1Cl)N(C)C
InChIInChI=1S/C12H16Cl2N2O2/c1-8(17)15-7-12(16(2)3)18-11-5-4-9(13)6-10(11)14/h4-6,12H,7H2,1-3H3,(H,15,17)
InChIKeyKZPAEAPAAAQIGJ-UHFFFAOYSA-N
MW291.18 g/mol
LogP2.40
Rot. Bonds5

About N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide

N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide (PubChem CID 57406794) has the molecular formula C12H16Cl2N2O2 and a molecular weight of 291.18 g/mol. Its IUPAC name is N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide
PubChem CID57406794
Molecular FormulaC12H16Cl2N2O2
Molecular Weight291.18 g/mol
Exact Mass290.06
IUPAC NameN-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide
SMILESCC(=O)NCC(Oc1ccc(Cl)cc1Cl)N(C)C
InChIInChI=1S/C12H16Cl2N2O2/c1-8(17)15-7-12(16(2)3)18-11-5-4-9(13)6-10(11)14/h4-6,12H,7H2,1-3H3,(H,15,17)
InChIKeyKZPAEAPAAAQIGJ-UHFFFAOYSA-N
XLogP2.40
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.18
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-(dimethylamino)-2-phenylethyl]propanamide
CID 27230023
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-hydroxypropyl]propanamide
CID 39950205
3-[2-(2,4-dichlorophenoxy)propanoylamino]-2-hydroxypropanoic acid
CID 66165822
(2R)-2-(2,4-dichlorophenoxy)-N-[(2R)-2-methylbutyl]propanamide
CID 2291416
2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
2-(2,4-dichlorophenoxy)propanoyl chloride
CID 14303380
(2-amino-2-oxoethyl) (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862593
[2-(methylamino)-2-oxoethyl] (2R)-2-(2,4-dichlorophenoxy)propanoate
CID 7862401
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
N,N-di(butan-2-yl)-2-(2,4-dichlorophenoxy)propanamide
CID 4617435
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
N-(2-acetamidoethyl)-2-(2,4-dichlorophenoxy)acetamide
CID 7942051

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide?
The IUPAC name of N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide (CID 57406794) is N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide is CC(=O)NCC(Oc1ccc(Cl)cc1Cl)N(C)C.
What is the InChIKey of N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide?
The InChIKey is KZPAEAPAAAQIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Cl2N2O2/c1-8(17)15-7-12(16(2)3)18-11-5-4-9(13)6-10(11)14/h4-6,12H,7H2,1-3H3,(H,15,17).
What are the key properties of N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide?
N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide has a molecular weight of 291.18 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dichlorophenoxy)-2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 57406794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).