(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate

C18H19NO4 — CID 9115075

IUPAC(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO4/c1-14-7-5-6-10-16(14)22-12-11-18(21)23-13-17(20)19-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyHNEWDIRDNMEKDZ-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.95
Rot. Bonds7

About (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate

(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate (PubChem CID 9115075) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate.

Molecular Properties

Compound Name(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
PubChem CID9115075
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate
SMILESCc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1
InChIInChI=1S/C18H19NO4/c1-14-7-5-6-10-16(14)22-12-11-18(21)23-13-17(20)19-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyHNEWDIRDNMEKDZ-UHFFFAOYSA-N
XLogP2.95
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(3,4-dimethylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841895
[2-(3-methylsulfanylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 31837897
[2-oxo-2-[(2-phenylacetyl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 46789070
[2-(2-acetylanilino)-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841781
[2-[2-(difluoromethoxy)anilino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 9139967
[2-oxo-2-[(1,3,5-trimethylpyrazol-4-yl)amino]ethyl] 3-(2-methylphenoxy)propanoate
CID 7703650
[2-(4-fluoroanilino)-2-oxoethyl] 3-(2-ethoxyphenoxy)propanoate
CID 7856676
[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841934
[2-(2,6-dimethylanilino)-2-oxoethyl] 3-phenoxypropanoate
CID 7841558
[2-[(2-fluorophenyl)methylamino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 8579171
[2-(4-bromo-3-methylanilino)-2-oxoethyl] 3-(2-methoxyphenoxy)propanoate
CID 2388095
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841671

Frequently Asked Questions

What is the IUPAC name of (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate?
The IUPAC name of (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate (CID 9115075) is (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate.
What is the SMILES notation for (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate?
The canonical SMILES for (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate is Cc1ccccc1OCCC(=O)OCC(=O)Nc1ccccc1.
What is the InChIKey of (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate?
The InChIKey is HNEWDIRDNMEKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-14-7-5-6-10-16(14)22-12-11-18(21)23-13-17(20)19-15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate?
(2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate has a molecular weight of 313.35 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anilino-2-oxoethyl) 3-(2-methylphenoxy)propanoate is sourced from PubChem (CID 9115075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).