[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate

C22H27NO5 — CID 55459667

IUPAC[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1ccc(CCNC(=O)C(C)OC(=O)Cc2ccc(C)c(OC)c2)cc1
InChIInChI=1S/C22H27NO5/c1-15-5-6-18(13-20(15)27-4)14-21(24)28-16(2)22(25)23-12-11-17-7-9-19(26-3)10-8-17/h5-10,13,16H,11-12,14H2,1-4H3,(H,23,25)
InChIKeyQGGCWWCFKQECPL-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.85
Rot. Bonds9

About [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate

[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate (PubChem CID 55459667) has the molecular formula C22H27NO5 and a molecular weight of 385.46 g/mol. Its IUPAC name is [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate.

Molecular Properties

Compound Name[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
PubChem CID55459667
Molecular FormulaC22H27NO5
Molecular Weight385.46 g/mol
Exact Mass385.19
IUPAC Name[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
SMILESCOc1ccc(CCNC(=O)C(C)OC(=O)Cc2ccc(C)c(OC)c2)cc1
InChIInChI=1S/C22H27NO5/c1-15-5-6-18(13-20(15)27-4)14-21(24)28-16(2)22(25)23-12-11-17-7-9-19(26-3)10-8-17/h5-10,13,16H,11-12,14H2,1-4H3,(H,23,25)
InChIKeyQGGCWWCFKQECPL-UHFFFAOYSA-N
XLogP2.85
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate with MolForge

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Related Compounds

[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738273
[1-oxo-1-(2-phenylethylamino)propan-2-yl] 2-(4-methoxyphenyl)acetate
CID 46619885
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 2-(4-methoxyphenyl)acetate
CID 8011674
[(2S)-1-oxo-1-[2-(4-sulfamoylphenyl)ethylamino]propan-2-yl] 2-(3,4-dimethylphenyl)acetate
CID 8738290
[(2S)-1-oxo-1-(2-phenylethylamino)propan-2-yl] 3-(4-methoxyphenyl)propanoate
CID 8730993
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3,5-dimethyl-1,2-oxazol-4-yl)acetate
CID 55423565
propan-2-yl 2-(3-methoxy-4-methylphenyl)acetate
CID 112723040
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-(carbamoylamino)propanoate
CID 8955404
[(2R)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 8735988
[1-(3-fluoro-4-methylanilino)-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate
CID 55459669
[(2S)-1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 3-fluoro-4-methylbenzoate
CID 9387249
[(2R)-1-[2-(cyclohexen-1-yl)ethylamino]-1-oxopropan-2-yl] 2-(3,4-dimethoxyphenyl)acetate
CID 7766371

Frequently Asked Questions

What is the IUPAC name of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate?
The IUPAC name of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate (CID 55459667) is [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate.
What is the SMILES notation for [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate?
The canonical SMILES for [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate is COc1ccc(CCNC(=O)C(C)OC(=O)Cc2ccc(C)c(OC)c2)cc1.
What is the InChIKey of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate?
The InChIKey is QGGCWWCFKQECPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO5/c1-15-5-6-18(13-20(15)27-4)14-21(24)28-16(2)22(25)23-12-11-17-7-9-19(26-3)10-8-17/h5-10,13,16H,11-12,14H2,1-4H3,(H,23,25).
What are the key properties of [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate?
[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate has a molecular weight of 385.46 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl] 2-(3-methoxy-4-methylphenyl)acetate is sourced from PubChem (CID 55459667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).