methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate

C18H19NO5 — CID 46989444

IUPACmethyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-22-14-7-9-16(10-8-14)24-15-5-3-13(4-6-15)18(21)19-12-11-17(20)23-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyVNEBSOYDJCTXSY-UHFFFAOYSA-N
MW329.35 g/mol
LogP2.78
Rot. Bonds7

About methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate

methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate (PubChem CID 46989444) has the molecular formula C18H19NO5 and a molecular weight of 329.35 g/mol. Its IUPAC name is methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
PubChem CID46989444
Molecular FormulaC18H19NO5
Molecular Weight329.35 g/mol
Exact Mass329.13
IUPAC Namemethyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate
SMILESCOC(=O)CCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1
InChIInChI=1S/C18H19NO5/c1-22-14-7-9-16(10-8-14)24-15-5-3-13(4-6-15)18(21)19-12-11-17(20)23-2/h3-10H,11-12H2,1-2H3,(H,19,21)
InChIKeyVNEBSOYDJCTXSY-UHFFFAOYSA-N
XLogP2.78
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.35
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-acetamidoethyl)-4-methoxybenzamide
CID 30596623
N-[2-[(4-methoxybenzoyl)amino]ethyl]-4-methylbenzamide
CID 108537787
4-methoxy-N-[(E)-pent-3-enyl]benzamide
CID 115628167
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
2-[(4-methoxybenzoyl)amino]ethyl-dimethylazanium
CID 7458489
4-methoxy-N-pentylbenzamide
CID 3113360
4-methoxy-N-(4-methoxybutyl)benzamide
CID 110417955
methyl 3-[[4-[(4-tert-butylphenoxy)methyl]benzoyl]amino]propanoate
CID 40655214
4-methoxy-N-nonylbenzamide
CID 3557385
N-hexyl-4-methoxy(11C)benzamide
CID 177422178
2-(4-methoxyphenoxy)ethyl 2-[(4-phenoxybenzoyl)amino]acetate
CID 7833306
4-methoxy-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]benzamide
CID 108537590

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate?
The IUPAC name of methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate (CID 46989444) is methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate.
What is the SMILES notation for methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate?
The canonical SMILES for methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate is COC(=O)CCNC(=O)c1ccc(Oc2ccc(OC)cc2)cc1.
What is the InChIKey of methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate?
The InChIKey is VNEBSOYDJCTXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO5/c1-22-14-7-9-16(10-8-14)24-15-5-3-13(4-6-15)18(21)19-12-11-17(20)23-2/h3-10H,11-12H2,1-2H3,(H,19,21).
What are the key properties of methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate?
methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate has a molecular weight of 329.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(4-methoxyphenoxy)benzoyl]amino]propanoate is sourced from PubChem (CID 46989444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).