ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate

C16H21NO4 — CID 61410360

IUPACethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-20-16(19)10-17(13-6-7-13)15(18)11-21-14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
InChIKeyLGBCRYVFDOJUQZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.93
Rot. Bonds7

About ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate

ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate (PubChem CID 61410360) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
PubChem CID61410360
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nameethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate
SMILESCCOC(=O)CN(C(=O)COc1ccc(C)cc1)C1CC1
InChIInChI=1S/C16H21NO4/c1-3-20-16(19)10-17(13-6-7-13)15(18)11-21-14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3
InChIKeyLGBCRYVFDOJUQZ-UHFFFAOYSA-N
XLogP1.93
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[cyclopropyl-[2-(2-methylphenoxy)acetyl]amino]acetate
CID 61410246
2-[cyclopropyl-[2-(4-ethoxyphenoxy)acetyl]amino]acetic acid
CID 60826404
ethyl 2-[[2-(2-aminophenoxy)acetyl]-cyclopropylamino]acetate
CID 61114031
ethyl 2-[cyclopropyl-(2-methoxyacetyl)amino]acetate
CID 61410290
ethyl 2-[cyclopropyl-[3-(4-methylphenyl)prop-2-enoyl]amino]acetate
CID 76903584
2-[4-(aminomethyl)phenoxy]-N-cyclopropyl-N-ethylacetamide
CID 43263738
N-cyclopropyl-2-(4-methylphenoxy)-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 110716156
2-[2-[cyclopropyl-(2-ethoxy-2-oxoethyl)amino]-2-oxoethoxy]acetic acid
CID 61328078
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
ethyl 2-[cyclopropyl-(2-cyclopropylacetyl)amino]acetate
CID 55150352
ethyl 2-[cyclopropyl(phenoxycarbonyl)amino]acetate
CID 54979510
ethyl 2-[cyclopropyl-(2-hydroxy-4-methylbenzoyl)amino]acetate
CID 61410130

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate?
The IUPAC name of ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate (CID 61410360) is ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate is CCOC(=O)CN(C(=O)COc1ccc(C)cc1)C1CC1.
What is the InChIKey of ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate?
The InChIKey is LGBCRYVFDOJUQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-20-16(19)10-17(13-6-7-13)15(18)11-21-14-8-4-12(2)5-9-14/h4-5,8-9,13H,3,6-7,10-11H2,1-2H3.
What are the key properties of ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate?
ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate has a molecular weight of 291.35 g/mol, XLogP of 1.93, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[cyclopropyl-[2-(4-methylphenoxy)acetyl]amino]acetate is sourced from PubChem (CID 61410360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).