(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate

C18H19NO4 — CID 110670984

IUPAC(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)11-17(20)19-12-18(21)23-16-6-4-3-5-15(16)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyNGUXQAXWYDNJFN-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.27
Rot. Bonds6

About (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate

(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate (PubChem CID 110670984) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
PubChem CID110670984
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)Cc1ccc(C)cc1
InChIInChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)11-17(20)19-12-18(21)23-16-6-4-3-5-15(16)22-2/h3-10H,11-12H2,1-2H3,(H,19,20)
InChIKeyNGUXQAXWYDNJFN-UHFFFAOYSA-N
XLogP2.27
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 110670963
(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670967
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993
(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
CID 110671038
N-(2-amino-2-sulfanylideneethyl)-2-(4-methylphenyl)acetamide
CID 61127296
N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 112994021
(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
CID 110671040
N'-[(2-methoxyphenyl)methyl]-N-[(4-methylphenyl)methyl]propanediamide
CID 108945706
2-(3,4-dimethoxyphenyl)-N-[2-(2-methoxyanilino)-2-oxoethyl]acetamide
CID 112998555
ethyl 2-[[2-(4-phenylphenyl)acetyl]amino]acetate
CID 163761967
methyl 2-[[2-[4-[[2-[(2-methoxybenzoyl)amino]-3-methylbutanoyl]amino]phenyl]acetyl]amino]acetate
CID 55964992

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate?
The IUPAC name of (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate (CID 110670984) is (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate?
The canonical SMILES for (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate is COc1ccccc1OC(=O)CNC(=O)Cc1ccc(C)cc1.
What is the InChIKey of (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate?
The InChIKey is NGUXQAXWYDNJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-13-7-9-14(10-8-13)11-17(20)19-12-18(21)23-16-6-4-3-5-15(16)22-2/h3-10H,11-12H2,1-2H3,(H,19,20).
What are the key properties of (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate?
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate has a molecular weight of 313.35 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate is sourced from PubChem (CID 110670984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).