methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate

C20H23NO6 — CID 40856382

IUPACmethyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)COc1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-24-17-10-9-14(11-18(17)25-2)16(12-20(23)26-3)21-19(22)13-27-15-7-5-4-6-8-15/h4-11,16H,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyZPBIWTMGRFGDAH-MRXNPFEDSA-N
MW373.41 g/mol
LogP2.50
Rot. Bonds9

About methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate

methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate (PubChem CID 40856382) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate.

Molecular Properties

Compound Namemethyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
PubChem CID40856382
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Namemethyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
SMILESCOC(=O)C[C@@H](NC(=O)COc1ccccc1)c1ccc(OC)c(OC)c1
InChIInChI=1S/C20H23NO6/c1-24-17-10-9-14(11-18(17)25-2)16(12-20(23)26-3)21-19(22)13-27-15-7-5-4-6-8-15/h4-11,16H,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1
InChIKeyZPBIWTMGRFGDAH-MRXNPFEDSA-N
XLogP2.50
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-[[2-(2,4,5-trichlorophenoxy)acetyl]amino]propanoate
CID 55440558
methyl 3-[[2-(2-methoxyphenoxy)acetyl]amino]-3-phenylpropanoate
CID 18121206
3-[[2-(4-cyanophenoxy)acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoic acid
CID 45432859
methyl 3-[[2-[3-(cyclopropanecarbonylamino)phenoxy]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 46546821
3-(3,4-dimethoxyphenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 3511694
3-(3,4-dimethoxyphenyl)-3-[[2-(2-fluorophenoxy)acetyl]amino]propanoic acid
CID 45432854
(3S)-3-(3,4-dimethoxyphenyl)-3-[[2-(4-methylphenoxy)acetyl]amino]propanoate
CID 7045097
methyl (3R)-3-(4-fluorophenyl)-3-[[2-(2-methoxyphenoxy)acetyl]amino]propanoate
CID 51967900
methyl 3-[[2-[(3,4-dimethoxybenzoyl)amino]acetyl]amino]-3-(3,4-dimethoxyphenyl)propanoate
CID 55440930
N-[1-(3,4-dimethoxyphenyl)propyl]-2-(4-ethylphenoxy)acetamide
CID 132653917
ethyl (3S)-3-(4-methoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate
CID 7045143
methyl 3-[[2-(4-fluorophenoxy)acetyl]amino]-3-phenylpropanoate
CID 17414893

Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
The IUPAC name of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate (CID 40856382) is methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate.
What is the SMILES notation for methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
The canonical SMILES for methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate is COC(=O)C[C@@H](NC(=O)COc1ccccc1)c1ccc(OC)c(OC)c1.
What is the InChIKey of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
The InChIKey is ZPBIWTMGRFGDAH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-17-10-9-14(11-18(17)25-2)16(12-20(23)26-3)21-19(22)13-27-15-7-5-4-6-8-15/h4-11,16H,12-13H2,1-3H3,(H,21,22)/t16-/m1/s1.
What are the key properties of methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate?
methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate has a molecular weight of 373.41 g/mol, XLogP of 2.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-(3,4-dimethoxyphenyl)-3-[(2-phenoxyacetyl)amino]propanoate is sourced from PubChem (CID 40856382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).