2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide

C12H16N2O3 — CID 16785575

IUPAC2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide
SMILESCOc1ccc(N)cc1OCC(=O)NC1CC1
InChIInChI=1S/C12H16N2O3/c1-16-10-5-2-8(13)6-11(10)17-7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15)
InChIKeyGYCSEZDLCKNECW-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.93
Rot. Bonds5

About 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide

2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide (PubChem CID 16785575) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide
PubChem CID16785575
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide
SMILESCOc1ccc(N)cc1OCC(=O)NC1CC1
InChIInChI=1S/C12H16N2O3/c1-16-10-5-2-8(13)6-11(10)17-7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15)
InChIKeyGYCSEZDLCKNECW-UHFFFAOYSA-N
XLogP0.93
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide?
The IUPAC name of 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide (CID 16785575) is 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide?
The canonical SMILES for 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide is COc1ccc(N)cc1OCC(=O)NC1CC1.
What is the InChIKey of 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide?
The InChIKey is GYCSEZDLCKNECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-16-10-5-2-8(13)6-11(10)17-7-12(15)14-9-3-4-9/h2,5-6,9H,3-4,7,13H2,1H3,(H,14,15).
What are the key properties of 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide?
2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide has a molecular weight of 236.27 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-2-methoxyphenoxy)-N-cyclopropylacetamide is sourced from PubChem (CID 16785575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).