3-(2-aminophenoxy)-N-pentylpropanamide

C14H22N2O2 — CID 61090081

IUPAC3-(2-aminophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCOc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-2-3-6-10-16-14(17)9-11-18-13-8-5-4-7-12(13)15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17)
InChIKeyVZBWRYMTLCFCNQ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.34
Rot. Bonds8

About 3-(2-aminophenoxy)-N-pentylpropanamide

3-(2-aminophenoxy)-N-pentylpropanamide (PubChem CID 61090081) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(2-aminophenoxy)-N-pentylpropanamide.

Molecular Properties

Compound Name3-(2-aminophenoxy)-N-pentylpropanamide
PubChem CID61090081
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(2-aminophenoxy)-N-pentylpropanamide
SMILESCCCCCNC(=O)CCOc1ccccc1N
InChIInChI=1S/C14H22N2O2/c1-2-3-6-10-16-14(17)9-11-18-13-8-5-4-7-12(13)15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17)
InChIKeyVZBWRYMTLCFCNQ-UHFFFAOYSA-N
XLogP2.34
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

3-(2-chlorophenoxy)-N-decylpropanamide
CID 108789478
methyl 3-[3-(2-aminophenoxy)propanoylamino]propanoate
CID 61104247
11-[4-(2-aminophenoxy)butanoylamino]undecanoic acid
CID 84555646
N-(2-acetamidoethyl)-4-(2-aminophenoxy)butanamide
CID 84555823
N-(2-amino-2-oxoethyl)-3-(2-aminophenoxy)propanamide
CID 61091283
2-octoxyaniline
CID 14747235
3-(2-aminophenoxy)-N-(2-pyrrolidin-1-ylethyl)propanamide
CID 62636073
3-[2-(4-chlorobutoxy)phenyl]-N-octadecylpropanamide
CID 18520271
4-[[2-(2-aminophenoxy)acetyl]amino]butanamide
CID 60865173
3-(2-fluorophenoxy)-N-propylpropanamide
CID 60637780
N-[2-(2-methoxyphenoxy)ethyl]octadecanamide
CID 5113156
[3-(ethylamino)-3-oxopropyl] 2-(2-aminophenoxy)acetate
CID 55060432

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminophenoxy)-N-pentylpropanamide?
The IUPAC name of 3-(2-aminophenoxy)-N-pentylpropanamide (CID 61090081) is 3-(2-aminophenoxy)-N-pentylpropanamide.
What is the SMILES notation for 3-(2-aminophenoxy)-N-pentylpropanamide?
The canonical SMILES for 3-(2-aminophenoxy)-N-pentylpropanamide is CCCCCNC(=O)CCOc1ccccc1N.
What is the InChIKey of 3-(2-aminophenoxy)-N-pentylpropanamide?
The InChIKey is VZBWRYMTLCFCNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-2-3-6-10-16-14(17)9-11-18-13-8-5-4-7-12(13)15/h4-5,7-8H,2-3,6,9-11,15H2,1H3,(H,16,17).
What are the key properties of 3-(2-aminophenoxy)-N-pentylpropanamide?
3-(2-aminophenoxy)-N-pentylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.34, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminophenoxy)-N-pentylpropanamide is sourced from PubChem (CID 61090081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).