2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide

C16H26N2O3 — CID 61485578

IUPAC2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(CCN)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-3-5-10-18-16(19)12-21-14-7-6-13(8-9-17)11-15(14)20-4-2/h6-7,11H,3-5,8-10,12,17H2,1-2H3,(H,18,19)
InChIKeySUSVUZKWBJLTDO-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.88
Rot. Bonds10

About 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide (PubChem CID 61485578) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide.

Molecular Properties

Compound Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
PubChem CID61485578
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Name2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide
SMILESCCCCNC(=O)COc1ccc(CCN)cc1OCC
InChIInChI=1S/C16H26N2O3/c1-3-5-10-18-16(19)12-21-14-7-6-13(8-9-17)11-15(14)20-4-2/h6-7,11H,3-5,8-10,12,17H2,1-2H3,(H,18,19)
InChIKeySUSVUZKWBJLTDO-UHFFFAOYSA-N
XLogP1.88
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methylacetamide
CID 54931035
1-butyl-3-[2-(3,4-diethoxyphenyl)ethyl]urea
CID 108888179
2-(4-butoxy-3-ethoxyphenyl)ethanamine
CID 20982697
N-butyl-2-[4-(hydroxymethyl)-2-methoxyphenoxy]acetamide
CID 60627689
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-ethyl-N-methylacetamide
CID 60906427
N-butyl-2-[2-methoxy-5-(methylaminomethyl)phenoxy]acetamide
CID 61485632
2-[2-(aminomethyl)-4-chlorophenoxy]-N-butylacetamide
CID 54956381
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 19177361
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60905074
N-butyl-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide
CID 78767935
4-[2-(3-ethoxy-4-pentoxyphenyl)ethylamino]-4-oxobutanoic acid
CID 9151980
2-(5-amino-2-methylphenoxy)-N-butylacetamide
CID 54956173

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide?
The IUPAC name of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide (CID 61485578) is 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide.
What is the SMILES notation for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide?
The canonical SMILES for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide is CCCCNC(=O)COc1ccc(CCN)cc1OCC.
What is the InChIKey of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide?
The InChIKey is SUSVUZKWBJLTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-3-5-10-18-16(19)12-21-14-7-6-13(8-9-17)11-15(14)20-4-2/h6-7,11H,3-5,8-10,12,17H2,1-2H3,(H,18,19).
What are the key properties of 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide?
2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide has a molecular weight of 294.40 g/mol, XLogP of 1.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminoethyl)-2-ethoxyphenoxy]-N-butylacetamide is sourced from PubChem (CID 61485578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).