[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

C17H21Cl2NO4 — CID 3476819

IUPAC[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C17H21Cl2NO4/c18-12-7-8-15(14(19)9-12)23-11-17(22)24-10-16(21)20-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10-11H2,(H,20,21)
InChIKeyOJODYEXSGHDULX-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.75
Rot. Bonds6

About [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate

[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (PubChem CID 3476819) has the molecular formula C17H21Cl2NO4 and a molecular weight of 374.26 g/mol. Its IUPAC name is [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.

Molecular Properties

Compound Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
PubChem CID3476819
Molecular FormulaC17H21Cl2NO4
Molecular Weight374.26 g/mol
Exact Mass373.08
IUPAC Name[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C17H21Cl2NO4/c18-12-7-8-15(14(19)9-12)23-11-17(22)24-10-16(21)20-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10-11H2,(H,20,21)
InChIKeyOJODYEXSGHDULX-UHFFFAOYSA-N
XLogP3.75
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-D-diolamine
CID 16825
2,4-D-isopropylammonium
CID 21965
Acetamide, 2-(2,4-dichlorophenoxy)-N-(2-(diethylamino)ethyl)-
CID 206267
2-(2,4-dichlorophenoxy)-N-[2-(dimethylamino)ethyl]acetamide
CID 1571645
[2-Oxo-2-(prop-2-enylamino)ethyl] 2-(4-chlorophenoxy)acetate
CID 2432738
[2-[(2-Methylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 4242947
[2-[(1,1-Dioxothiolan-3-yl)amino]-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate
CID 4376724
[2-[(2,3-Dimethylcyclohexyl)amino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 5023013
2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 684074
N-[2-(1-cyclohexen-1-yl)ethyl]-2-(2,4-dichlorophenoxy)propanamide
CID 2899212
N-((2,4-Dichlorophenoxy)acetyl)-L-alanine
CID 39753
2,4-D Diethylamine salt
CID 62747

Frequently Asked Questions

What is the IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The IUPAC name of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate (CID 3476819) is [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate.
What is the SMILES notation for [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The canonical SMILES for [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is O=C(COC(=O)COc1ccc(Cl)cc1Cl)NC1CCCCCC1.
What is the InChIKey of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
The InChIKey is OJODYEXSGHDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO4/c18-12-7-8-15(14(19)9-12)23-11-17(22)24-10-16(21)20-13-5-3-1-2-4-6-13/h7-9,13H,1-6,10-11H2,(H,20,21).
What are the key properties of [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate?
[2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate has a molecular weight of 374.26 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cycloheptylamino)-2-oxoethyl] 2-(2,4-dichlorophenoxy)acetate is sourced from PubChem (CID 3476819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).