[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

C21H24ClNO5 — CID 7951070

IUPAC[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCOc1ccc(CCNC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO5/c1-21(2,28-18-10-6-16(22)7-11-18)20(25)27-14-19(24)23-13-12-15-4-8-17(26-3)9-5-15/h4-11H,12-14H2,1-3H3,(H,23,24)
InChIKeyBKGFGNYAMANHIY-UHFFFAOYSA-N
MW405.88 g/mol
LogP3.41
Rot. Bonds9

About [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate

[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (PubChem CID 7951070) has the molecular formula C21H24ClNO5 and a molecular weight of 405.88 g/mol. Its IUPAC name is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.

Molecular Properties

Compound Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
PubChem CID7951070
Molecular FormulaC21H24ClNO5
Molecular Weight405.88 g/mol
Exact Mass405.13
IUPAC Name[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
SMILESCOc1ccc(CCNC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H24ClNO5/c1-21(2,28-18-10-6-16(22)7-11-18)20(25)27-14-19(24)23-13-12-15-4-8-17(26-3)9-5-15/h4-11H,12-14H2,1-3H3,(H,23,24)
InChIKeyBKGFGNYAMANHIY-UHFFFAOYSA-N
XLogP3.41
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.88
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 9200072
methyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
CID 125389450
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] (2S)-2-(4-chlorophenoxy)propanoate
CID 8867295
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2358005
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 5-chloro-2-methoxybenzoate
CID 2614932
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)methylamino]propanamide
CID 109022433
[2-(cyclopropylamino)-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7762853
[(2S)-2-aminopropanoyl]oxymethyl 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methylpropanoate
CID 139547470
4-chloro-N-[4-[2-(4-methoxyphenyl)ethylamino]-4-oxobutyl]benzamide
CID 17432466
2-(4-chlorophenoxy)-2-methyl-N-[2-oxo-2-(2-phenylethylamino)ethyl]propanamide
CID 60603293
3-(4-chlorophenyl)sulfanyl-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2634604
N-[2-(4-chlorophenyl)ethyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 27646822

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The IUPAC name of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate (CID 7951070) is [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate.
What is the SMILES notation for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The canonical SMILES for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is COc1ccc(CCNC(=O)COC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1.
What is the InChIKey of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
The InChIKey is BKGFGNYAMANHIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24ClNO5/c1-21(2,28-18-10-6-16(22)7-11-18)20(25)27-14-19(24)23-13-12-15-4-8-17(26-3)9-5-15/h4-11H,12-14H2,1-3H3,(H,23,24).
What are the key properties of [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate?
[2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate has a molecular weight of 405.88 g/mol, XLogP of 3.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-(4-methoxyphenyl)ethylamino]-2-oxoethyl] 2-(4-chlorophenoxy)-2-methylpropanoate is sourced from PubChem (CID 7951070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).