[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate

C19H21NO4 — CID 17342012

IUPAC[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H21NO4/c1-4-19(22)24-17-7-5-6-15(11-17)20-18(21)12-23-16-9-8-13(2)14(3)10-16/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyRYGHTFGYCIXAKW-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.64
Rot. Bonds6

About [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate

[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate (PubChem CID 17342012) has the molecular formula C19H21NO4 and a molecular weight of 327.38 g/mol. Its IUPAC name is [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate.

Molecular Properties

Compound Name[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
PubChem CID17342012
Molecular FormulaC19H21NO4
Molecular Weight327.38 g/mol
Exact Mass327.15
IUPAC Name[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate
SMILESCCC(=O)Oc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1
InChIInChI=1S/C19H21NO4/c1-4-19(22)24-17-7-5-6-15(11-17)20-18(21)12-23-16-9-8-13(2)14(3)10-16/h5-11H,4,12H2,1-3H3,(H,20,21)
InChIKeyRYGHTFGYCIXAKW-UHFFFAOYSA-N
XLogP3.64
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl]propanamide
CID 17188267
2-(3,4-dimethylphenoxy)-N-[3-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]acetamide
CID 108767054
2-(4-bromo-3-methylphenoxy)-N-(3-butoxyphenyl)acetamide
CID 17095041
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
2-(3,4-dimethylphenoxy)-N-pyridin-1-ium-3-ylacetamide
CID 3658963
[3-[(2-chlorobenzoyl)amino]phenyl] 2-(3,4-dimethylphenoxy)acetate
CID 1355970
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
[3-[(2-phenoxyacetyl)amino]phenyl] acetate
CID 6472442
[3-[[2-(2,4,5-trimethylphenoxy)acetyl]amino]phenyl] acetate
CID 17341793
(3,5-dimethylphenyl) 2-[3-(propanoylamino)phenoxy]acetate
CID 18870324
[2-(3-bromoanilino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
CID 4803885
2-(3,4-dimethylphenoxy)-N-[3-(dimethylsulfamoyl)phenyl]acetamide
CID 4798692

Frequently Asked Questions

What is the IUPAC name of [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate?
The IUPAC name of [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate (CID 17342012) is [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate.
What is the SMILES notation for [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate?
The canonical SMILES for [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate is CCC(=O)Oc1cccc(NC(=O)COc2ccc(C)c(C)c2)c1.
What is the InChIKey of [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate?
The InChIKey is RYGHTFGYCIXAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO4/c1-4-19(22)24-17-7-5-6-15(11-17)20-18(21)12-23-16-9-8-13(2)14(3)10-16/h5-11H,4,12H2,1-3H3,(H,20,21).
What are the key properties of [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate?
[3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate has a molecular weight of 327.38 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(3,4-dimethylphenoxy)acetyl]amino]phenyl] propanoate is sourced from PubChem (CID 17342012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).