[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate

C20H23NO4 — CID 42968779

IUPAC[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OC(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-14-9-10-15(2)18(11-14)24-13-19(22)25-16(3)20(23)21-12-17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,21,23)
InChIKeyASHLUZZYDFUAKI-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.93
Rot. Bonds7

About [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate

[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate (PubChem CID 42968779) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
PubChem CID42968779
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
SMILESCc1ccc(C)c(OCC(=O)OC(C)C(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H23NO4/c1-14-9-10-15(2)18(11-14)24-13-19(22)25-16(3)20(23)21-12-17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,21,23)
InChIKeyASHLUZZYDFUAKI-UHFFFAOYSA-N
XLogP2.93
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885640
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2-chloro-5-methylphenoxy)acetate
CID 7234737
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(2,4-dimethylphenyl)sulfanylacetate
CID 7352842
[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(2,4-dimethylphenoxy)acetate
CID 8885529
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-phenylmethoxyphenoxy)acetate
CID 7839751
[(2R)-1-(2-cyanoanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918402
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598174
2-(2,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 53282908
[(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate
CID 8918508
[(2R)-1-[(4-methylphenyl)methylamino]-1-oxopropan-2-yl] 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 8735468
[1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl] 2-(2-ethylphenoxy)acetate
CID 46678709
[(2S)-1-[(4-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-phenoxyacetate
CID 7696924

Frequently Asked Questions

What is the IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate?
The IUPAC name of [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate (CID 42968779) is [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate.
What is the SMILES notation for [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate?
The canonical SMILES for [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate is Cc1ccc(C)c(OCC(=O)OC(C)C(=O)NCc2ccccc2)c1.
What is the InChIKey of [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate?
The InChIKey is ASHLUZZYDFUAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO4/c1-14-9-10-15(2)18(11-14)24-13-19(22)25-16(3)20(23)21-12-17-7-5-4-6-8-17/h4-11,16H,12-13H2,1-3H3,(H,21,23).
What are the key properties of [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate?
[1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate has a molecular weight of 341.41 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzylamino)-1-oxopropan-2-yl] 2-(2,5-dimethylphenoxy)acetate is sourced from PubChem (CID 42968779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).