2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide

C13H20N2O3 — CID 54931076

IUPAC2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
SMILESCCCOc1ccc(CCN)c(OCC(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-2-7-17-11-4-3-10(5-6-14)12(8-11)18-9-13(15)16/h3-4,8H,2,5-7,9,14H2,1H3,(H2,15,16)
InChIKeySHNVHBAPAYJEKF-UHFFFAOYSA-N
MW252.31 g/mol
LogP0.84
Rot. Bonds8

About 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide

2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide (PubChem CID 54931076) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
PubChem CID54931076
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
SMILESCCCOc1ccc(CCN)c(OCC(N)=O)c1
InChIInChI=1S/C13H20N2O3/c1-2-7-17-11-4-3-10(5-6-14)12(8-11)18-9-13(15)16/h3-4,8H,2,5-7,9,14H2,1H3,(H2,15,16)
InChIKeySHNVHBAPAYJEKF-UHFFFAOYSA-N
XLogP0.84
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
CID 60905856
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
2-[2-[(2-methoxyethylamino)methyl]-5-propoxyphenoxy]acetamide
CID 63061452
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
2-(3-ethoxy-4-ethylphenoxy)acetamide
CID 141024835
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
2-(2-but-3-en-2-yloxy-4-propoxyphenyl)ethanamine
CID 62383803
2-[2-[(5-bromothiophen-2-yl)methoxy]-4-propoxyphenyl]ethanamine
CID 60905963
2-(2-butoxy-4-methoxyphenyl)ethanamine
CID 20985365

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide (CID 54931076) is 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide is CCCOc1ccc(CCN)c(OCC(N)=O)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide?
The InChIKey is SHNVHBAPAYJEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-2-7-17-11-4-3-10(5-6-14)12(8-11)18-9-13(15)16/h3-4,8H,2,5-7,9,14H2,1H3,(H2,15,16).
What are the key properties of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide?
2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide has a molecular weight of 252.31 g/mol, XLogP of 0.84, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide is sourced from PubChem (CID 54931076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).