(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate

C14H20N2O4 — CID 110671038

IUPAC(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)NC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)16-13(18)15-9-12(17)20-11-8-6-5-7-10(11)19-4/h5-8H,9H2,1-4H3,(H2,15,16,18)
InChIKeyZJGJITZCAVZOHU-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.70
Rot. Bonds4

About (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate

(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate (PubChem CID 110671038) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
PubChem CID110671038
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)NC(C)(C)C
InChIInChI=1S/C14H20N2O4/c1-14(2,3)16-13(18)15-9-12(17)20-11-8-6-5-7-10(11)19-4/h5-8H,9H2,1-4H3,(H2,15,16,18)
InChIKeyZJGJITZCAVZOHU-UHFFFAOYSA-N
XLogP1.70
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
CID 110671040
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
1-tert-butyl-3-[4-(2-methoxyphenyl)butyl]urea
CID 110661390
N-tert-butyl-2-(2-methoxyphenoxy)acetamide
CID 922262
[1-(tert-butylcarbamoylamino)-1-oxopropan-2-yl] 2-[(2-methoxybenzoyl)amino]acetate
CID 46621802
(2-methoxyphenyl) 2-methoxyacetate
CID 53423767
(2-methoxyphenyl) 2-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]acetate
CID 110670967
(2-methoxyphenyl) 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 110670963
1-tert-butyl-3-(2,6-dimethoxyphenyl)urea
CID 108867821
1-tert-butyl-3-[(2R)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]urea
CID 99780012
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate (CID 110671038) is (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate is COc1ccccc1OC(=O)CNC(=O)NC(C)(C)C.
What is the InChIKey of (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate?
The InChIKey is ZJGJITZCAVZOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,3)16-13(18)15-9-12(17)20-11-8-6-5-7-10(11)19-4/h5-8H,9H2,1-4H3,(H2,15,16,18).
What are the key properties of (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate?
(2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate has a molecular weight of 280.32 g/mol, XLogP of 1.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(tert-butylcarbamoylamino)acetate is sourced from PubChem (CID 110671038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).