(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate

C15H22N2O4 — CID 110671040

IUPAC(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)NCC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-17-14(19)16-9-13(18)21-12-8-6-5-7-11(12)20-4/h5-8H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyXQOFROGBHHTUNF-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.95
Rot. Bonds5

About (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate

(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate (PubChem CID 110671040) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate.

Molecular Properties

Compound Name(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
PubChem CID110671040
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate
SMILESCOc1ccccc1OC(=O)CNC(=O)NCC(C)(C)C
InChIInChI=1S/C15H22N2O4/c1-15(2,3)10-17-14(19)16-9-13(18)21-12-8-6-5-7-11(12)20-4/h5-8H,9-10H2,1-4H3,(H2,16,17,19)
InChIKeyXQOFROGBHHTUNF-UHFFFAOYSA-N
XLogP1.95
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.95
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-(tert-butylcarbamoylamino)acetate
CID 110671038
(2-methoxyphenyl) 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110671034
(2-methoxyphenyl) 2-[[2-(4-methylphenyl)acetyl]amino]acetate
CID 110670984
(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
N-(2,2-dimethylpropyl)-2-hydroxy-3-methoxybenzamide
CID 61166501
(2,3-dimethoxyphenyl) 2-(methoxycarbonylamino)acetate
CID 67865616
N-(2,2-dimethylpropyl)-2-methoxyaniline
CID 20785776
(2-methoxyphenyl) 2,2,2-trifluoroacetate
CID 613204
1-(4-hydroxy-2,2-dimethylpentyl)-3-[2-(2-methoxyphenyl)propyl]urea
CID 111505764
(2-methoxyphenyl) 2-[(4-methylphenyl)sulfonylamino]acetate
CID 110670993

Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate?
The IUPAC name of (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate (CID 110671040) is (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate.
What is the SMILES notation for (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate?
The canonical SMILES for (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate is COc1ccccc1OC(=O)CNC(=O)NCC(C)(C)C.
What is the InChIKey of (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate?
The InChIKey is XQOFROGBHHTUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-15(2,3)10-17-14(19)16-9-13(18)21-12-8-6-5-7-11(12)20-4/h5-8H,9-10H2,1-4H3,(H2,16,17,19).
What are the key properties of (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate?
(2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate has a molecular weight of 294.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl) 2-(2,2-dimethylpropylcarbamoylamino)acetate is sourced from PubChem (CID 110671040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).