[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

C19H20ClNO5 — CID 40755682

IUPAC[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCc1cccc(OCCNC(=O)COC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO5/c1-14-5-4-6-15(11-14)24-10-9-21-18(22)12-26-19(23)13-25-17-8-3-2-7-16(17)20/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyKDPJFEHBNJQPTN-UHFFFAOYSA-N
MW377.82 g/mol
LogP2.77
Rot. Bonds9

About [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (PubChem CID 40755682) has the molecular formula C19H20ClNO5 and a molecular weight of 377.82 g/mol. Its IUPAC name is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
PubChem CID40755682
Molecular FormulaC19H20ClNO5
Molecular Weight377.82 g/mol
Exact Mass377.10
IUPAC Name[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate
SMILESCc1cccc(OCCNC(=O)COC(=O)COc2ccccc2Cl)c1
InChIInChI=1S/C19H20ClNO5/c1-14-5-4-6-15(11-14)24-10-9-21-18(22)12-26-19(23)13-25-17-8-3-2-7-16(17)20/h2-8,11H,9-10,12-13H2,1H3,(H,21,22)
InChIKeyKDPJFEHBNJQPTN-UHFFFAOYSA-N
XLogP2.77
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.82
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-ethoxyphenoxy)acetate
CID 39797454
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chloro-6-fluorophenyl)acetate
CID 40747500
[2-[2-(4-chlorophenyl)ethylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 8910326
2-(2-bromo-4-methylphenoxy)-N-[2-(3-methylphenoxy)ethyl]acetamide
CID 9372061
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 29349192
4-methyl-2-[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethoxy]benzamide
CID 17422361
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 3-(3-methylphenoxy)propanoate
CID 8578267
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-[(4-chloro-3-nitrobenzoyl)amino]acetate
CID 29385690
3-(3-chloro-4-methylphenyl)-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 46679754
N-[2-(4-methoxyphenoxy)ethyl]-2-(3-methylphenoxy)acetamide
CID 8935101

Frequently Asked Questions

What is the IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The IUPAC name of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate (CID 40755682) is [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate.
What is the SMILES notation for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The canonical SMILES for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is Cc1cccc(OCCNC(=O)COC(=O)COc2ccccc2Cl)c1.
What is the InChIKey of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
The InChIKey is KDPJFEHBNJQPTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClNO5/c1-14-5-4-6-15(11-14)24-10-9-21-18(22)12-26-19(23)13-25-17-8-3-2-7-16(17)20/h2-8,11H,9-10,12-13H2,1H3,(H,21,22).
What are the key properties of [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate?
[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate has a molecular weight of 377.82 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(2-chlorophenoxy)acetate is sourced from PubChem (CID 40755682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).