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

C15H21N3O3 — CID 60905856

IUPAC2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
SMILESCCCOc1ccc(CCN)c(OCC(=O)NCC#N)c1
InChIInChI=1S/C15H21N3O3/c1-2-9-20-13-4-3-12(5-6-16)14(10-13)21-11-15(19)18-8-7-17/h3-4,10H,2,5-6,8-9,11,16H2,1H3,(H,18,19)
InChIKeyOMYDAPCITJJRLO-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.00
Rot. Bonds9

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

2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide (PubChem CID 60905856) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
PubChem CID60905856
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide
SMILESCCCOc1ccc(CCN)c(OCC(=O)NCC#N)c1
InChIInChI=1S/C15H21N3O3/c1-2-9-20-13-4-3-12(5-6-16)14(10-13)21-11-15(19)18-8-7-17/h3-4,10H,2,5-6,8-9,11,16H2,1H3,(H,18,19)
InChIKeyOMYDAPCITJJRLO-UHFFFAOYSA-N
XLogP1.00
TPSA97.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethyl)-5-propoxyphenoxy]acetamide
CID 54931076
2-[2-(2-aminoethyl)-5-methoxyphenoxy]-N-prop-2-ynylacetamide
CID 61268381
methyl 4-[2-(2-aminoethyl)-5-propoxyphenoxy]butanoate
CID 60905380
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
2-[2-(methylaminomethyl)-5-propoxyphenoxy]-N-prop-2-enylacetamide
CID 60889184
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
2-[2-(2-methylpropoxy)-4-propoxyphenyl]ethanamine
CID 60905266
2-(2-pent-3-ynoxy-4-propoxyphenyl)ethanamine
CID 104807530
3-[2-(2-aminoethyl)-5-propoxyphenoxy]-N,N-dimethylpropan-1-amine
CID 114526282
2-[4-(2-aminoethyl)-2-bromophenoxy]-N-(cyanomethyl)acetamide
CID 63050980
2-(5-amino-2-methylphenoxy)-N-(cyanomethyl)acetamide
CID 43520211
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide?
The IUPAC name of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide (CID 60905856) is 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide.
What is the SMILES notation for 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide?
The canonical SMILES for 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide is CCCOc1ccc(CCN)c(OCC(=O)NCC#N)c1.
What is the InChIKey of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide?
The InChIKey is OMYDAPCITJJRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-2-9-20-13-4-3-12(5-6-16)14(10-13)21-11-15(19)18-8-7-17/h3-4,10H,2,5-6,8-9,11,16H2,1H3,(H,18,19).
What are the key properties of 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide?
2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide has a molecular weight of 291.35 g/mol, XLogP of 1.00, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminoethyl)-5-propoxyphenoxy]-N-(cyanomethyl)acetamide is sourced from PubChem (CID 60905856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).