[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

C15H19NO4 — CID 2595950

IUPAC[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NC2CC2)cc1C
InChIInChI=1S/C15H19NO4/c1-10-3-6-13(7-11(10)2)19-9-15(18)20-8-14(17)16-12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,16,17)
InChIKeyIAYXTBLXBUHCHT-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.50
Rot. Bonds6

About [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (PubChem CID 2595950) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.

Molecular Properties

Compound Name[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
PubChem CID2595950
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate
SMILESCc1ccc(OCC(=O)OCC(=O)NC2CC2)cc1C
InChIInChI=1S/C15H19NO4/c1-10-3-6-13(7-11(10)2)19-9-15(18)20-8-14(17)16-12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,16,17)
InChIKeyIAYXTBLXBUHCHT-UHFFFAOYSA-N
XLogP1.50
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(4-propan-2-ylphenoxy)acetamide
CID 798624
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2344647
[2-[2-(4-Methoxyphenyl)ethylamino]-2-oxoethyl] cyclopropanecarboxylate
CID 2376869
[2-(cyclopropylamino)-2-oxoethyl] (E)-2-cyano-3-(4-methoxyphenyl)prop-2-enoate
CID 2407203
[2-(cyclopropylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 2543523
N-isopropyl-2-(naphthalen-1-yloxy)acetamide
CID 3661886
Methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
CID 4600742
[2-(Cyclopropylamino)-2-oxoethyl] 2-(2-cyanophenoxy)acetate
CID 4800874
[2-[(2,3-dimethylcyclohexyl)amino]-2-oxoethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6140233
[2-(cyclooctylamino)-2-oxoethyl] (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 6151532
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] (E)-3-(4-methoxyphenyl)prop-2-enoate
CID 6182229
[2-(Cyclopentylamino)-2-oxoethyl] 3-(4-methylphenoxy)propanoate
CID 9139575

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The IUPAC name of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate (CID 2595950) is [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate.
What is the SMILES notation for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The canonical SMILES for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is Cc1ccc(OCC(=O)OCC(=O)NC2CC2)cc1C.
What is the InChIKey of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
The InChIKey is IAYXTBLXBUHCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-10-3-6-13(7-11(10)2)19-9-15(18)20-8-14(17)16-12-4-5-12/h3,6-7,12H,4-5,8-9H2,1-2H3,(H,16,17).
What are the key properties of [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate?
[2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate has a molecular weight of 277.32 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(cyclopropylamino)-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate is sourced from PubChem (CID 2595950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).