[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate

C19H21NO4 — CID 7841558

IUPAC[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C19H21NO4/c1-14-7-6-8-15(2)19(14)20-17(21)13-24-18(22)11-12-23-16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyDSLQCQHSFQVERV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.25
Rot. Bonds7

About [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate

[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate (PubChem CID 7841558) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate.

Molecular Properties

Compound Name[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
PubChem CID7841558
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
SMILESCc1cccc(C)c1NC(=O)COC(=O)CCOc1ccccc1
InChIInChI=1S/C19H21NO4/c1-14-7-6-8-15(2)19(14)20-17(21)13-24-18(22)11-12-23-16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,20,21)
InChIKeyDSLQCQHSFQVERV-UHFFFAOYSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2,6-dimethylanilino)-2-oxoethyl] 3-(3-bromophenoxy)propanoate
CID 7951883
[2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-phenoxybutanoate
CID 7186295
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841565
[2-(2,6-difluoroanilino)-2-oxoethyl] 4-phenoxybutanoate
CID 7186275
[2-(ethoxycarbonylamino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841440
[2-(4-tert-butylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841562
[2-(2,6-dimethylanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 8704893
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
CID 9115075
[2-[2-(2-methylphenyl)ethylamino]-2-oxoethyl] 4-phenoxybutanoate
CID 8578548
propyl 3-phenoxypropanoate
CID 43389568
[2-(4-cyanoanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 2399979
[2-(2-benzylanilino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 7840497

Frequently Asked Questions

What is the IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate?
The IUPAC name of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate (CID 7841558) is [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate.
What is the SMILES notation for [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate?
The canonical SMILES for [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate is Cc1cccc(C)c1NC(=O)COC(=O)CCOc1ccccc1.
What is the InChIKey of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate?
The InChIKey is DSLQCQHSFQVERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-14-7-6-8-15(2)19(14)20-17(21)13-24-18(22)11-12-23-16-9-4-3-5-10-16/h3-10H,11-13H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate?
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate has a molecular weight of 327.38 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate is sourced from PubChem (CID 7841558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).