(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate

C18H19NO4 — CID 42979993

IUPAC(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESCc1cccc(COC(=O)CNC(=O)COc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-14-6-5-7-15(10-14)12-23-18(21)11-19-17(20)13-22-16-8-3-2-4-9-16/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyKDQRENQTFNUELB-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.23
Rot. Bonds7

About (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate

(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate (PubChem CID 42979993) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate.

Molecular Properties

Compound Name(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate
PubChem CID42979993
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Name(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate
SMILESCc1cccc(COC(=O)CNC(=O)COc2ccccc2)c1
InChIInChI=1S/C18H19NO4/c1-14-6-5-7-15(10-14)12-23-18(21)11-19-17(20)13-22-16-8-3-2-4-9-16/h2-10H,11-13H2,1H3,(H,19,20)
InChIKeyKDQRENQTFNUELB-UHFFFAOYSA-N
XLogP2.23
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 2-[(2-naphthalen-2-yloxyacetyl)amino]acetate
CID 7980506
2-(3-ethylphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 55303914
(3-methylphenyl) 2-[[2-(4-methylphenoxy)acetyl]amino]acetate
CID 110670431
[2-oxo-2-(2-phenylethylamino)ethyl] 2-[(2-phenoxyacetyl)amino]acetate
CID 55303919
benzyl 2-[[(E)-3-(3-methylphenyl)prop-2-enoyl]amino]acetate
CID 26878180
(3-methylphenyl)methyl 2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetate
CID 9061287
2-(4-propoxyphenoxy)ethyl 2-[(2-phenoxyacetyl)amino]acetate
CID 40778027
2-(4-tert-butylphenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 53283091
(3-methylphenyl)methyl 2-(4-cyanophenoxy)acetate
CID 9141415
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-[(2-phenoxyacetyl)amino]acetamide
CID 55735415
(3-methylphenyl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 7879494
2-(4-bromophenoxy)-N-[(3-methylphenyl)methyl]acetamide
CID 38294492

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
The IUPAC name of (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate (CID 42979993) is (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate.
What is the SMILES notation for (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
The canonical SMILES for (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate is Cc1cccc(COC(=O)CNC(=O)COc2ccccc2)c1.
What is the InChIKey of (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
The InChIKey is KDQRENQTFNUELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-14-6-5-7-15(10-14)12-23-18(21)11-19-17(20)13-22-16-8-3-2-4-9-16/h2-10H,11-13H2,1H3,(H,19,20).
What are the key properties of (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate?
(3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate has a molecular weight of 313.35 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)methyl 2-[(2-phenoxyacetyl)amino]acetate is sourced from PubChem (CID 42979993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).