2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide

C14H22N2O3 — CID 82950283

IUPAC2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
SMILESCCCOCCCNC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H22N2O3/c1-2-8-18-9-4-7-16-14(17)11-19-13-6-3-5-12(15)10-13/h3,5-6,10H,2,4,7-9,11,15H2,1H3,(H,16,17)
InChIKeyLHNGAFAXORLYAQ-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.58
Rot. Bonds9

About 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide

2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide (PubChem CID 82950283) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
PubChem CID82950283
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
SMILESCCCOCCCNC(=O)COc1cccc(N)c1
InChIInChI=1S/C14H22N2O3/c1-2-8-18-9-4-7-16-14(17)11-19-13-6-3-5-12(15)10-13/h3,5-6,10H,2,4,7-9,11,15H2,1H3,(H,16,17)
InChIKeyLHNGAFAXORLYAQ-UHFFFAOYSA-N
XLogP1.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
3-(3-aminophenyl)-N-(3-propoxypropyl)propanamide
CID 82950103
3-(3-propoxypropoxy)aniline
CID 43247836
4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
CID 79378028
N-butyl-2-(3-ethoxyphenoxy)acetamide
CID 112977682
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
N-[3-(dimethylamino)propyl]-2-(3-propoxyphenoxy)acetamide
CID 4733113

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide (CID 82950283) is 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide is CCCOCCCNC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide?
The InChIKey is LHNGAFAXORLYAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-2-8-18-9-4-7-16-14(17)11-19-13-6-3-5-12(15)10-13/h3,5-6,10H,2,4,7-9,11,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide?
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide has a molecular weight of 266.34 g/mol, XLogP of 1.58, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide is sourced from PubChem (CID 82950283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).