methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate

C20H23NO5 — CID 24511118

IUPACmethyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-14(26-18-10-6-16(7-11-18)20(23)25-3)19(22)21-13-12-15-4-8-17(24-2)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyVHLILWDKFLPYRS-UHFFFAOYSA-N
MW357.41 g/mol
LogP2.61
Rot. Bonds8

About methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate

methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate (PubChem CID 24511118) has the molecular formula C20H23NO5 and a molecular weight of 357.41 g/mol. Its IUPAC name is methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
PubChem CID24511118
Molecular FormulaC20H23NO5
Molecular Weight357.41 g/mol
Exact Mass357.16
IUPAC Namemethyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate
SMILESCOC(=O)c1ccc(OC(C)C(=O)NCCc2ccc(OC)cc2)cc1
InChIInChI=1S/C20H23NO5/c1-14(26-18-10-6-16(7-11-18)20(23)25-3)19(22)21-13-12-15-4-8-17(24-2)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,22)
InChIKeyVHLILWDKFLPYRS-UHFFFAOYSA-N
XLogP2.61
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methoxyphenyl)ethyl]-2-(4-propanoylphenoxy)propanamide
CID 24511404
N-[2-(4-methoxyphenyl)ethyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 24511975
2-(4-tert-butylphenoxy)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 2960859
2-(4-methoxyphenoxy)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 55504113
methyl 4-[1-(butylamino)-1-oxopropan-2-yl]oxybenzoate
CID 60718466
methyl 4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]ethyl]benzoate
CID 36774109
(2R)-N-[2-(4-methoxyphenyl)ethyl]-2-[4-[methyl(methylsulfonyl)amino]phenoxy]propanamide
CID 100768119
methyl 4-[[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]methyl]benzoate
CID 40881969
(2R)-2-hydroxy-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 175743514
4-[1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl]oxybenzamide
CID 112778533
N-[3-(4-ethoxyphenyl)propyl]-2-(4-methoxyphenoxy)propanamide
CID 132653933
methyl 4-[2-(4-propylphenoxy)propanoylamino]benzoate
CID 53266101

Frequently Asked Questions

What is the IUPAC name of methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate?
The IUPAC name of methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate (CID 24511118) is methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate.
What is the SMILES notation for methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate?
The canonical SMILES for methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate is COC(=O)c1ccc(OC(C)C(=O)NCCc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate?
The InChIKey is VHLILWDKFLPYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23NO5/c1-14(26-18-10-6-16(7-11-18)20(23)25-3)19(22)21-13-12-15-4-8-17(24-2)9-5-15/h4-11,14H,12-13H2,1-3H3,(H,21,22).
What are the key properties of methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate?
methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate has a molecular weight of 357.41 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]oxybenzoate is sourced from PubChem (CID 24511118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).