3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide

C16H26N2O3 — CID 106113357

IUPAC3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C16H26N2O3/c1-2-3-13(8-10-19)12-18-16(20)9-11-21-15-6-4-14(17)5-7-15/h4-7,13,19H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyOUSZDVBRUKUMPP-UHFFFAOYSA-N
MW294.39 g/mol
LogP1.95
Rot. Bonds10

About 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide

3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide (PubChem CID 106113357) has the molecular formula C16H26N2O3 and a molecular weight of 294.39 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
PubChem CID106113357
Molecular FormulaC16H26N2O3
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
SMILESCCCC(CCO)CNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C16H26N2O3/c1-2-3-13(8-10-19)12-18-16(20)9-11-21-15-6-4-14(17)5-7-15/h4-7,13,19H,2-3,8-12,17H2,1H3,(H,18,20)
InChIKeyOUSZDVBRUKUMPP-UHFFFAOYSA-N
XLogP1.95
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66089630
3-(4-aminophenoxy)-N-(2-hydroxybutyl)propanamide
CID 113491836
methyl 3-[3-(4-aminophenoxy)propanoylamino]-2-hydroxypropanoate
CID 107211638
N-[2-(2-hydroxyethyl)pentyl]-3-(4-methoxyphenyl)propanamide
CID 103722806
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
N-(2-ethylbutyl)-3-(4-methylphenoxy)propanamide
CID 115612574
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
N-(4-hydroxy-2-methylbutyl)-3-(4-methoxyphenoxy)propanamide
CID 66109025
3-(4-aminophenoxy)-N-(4-hydroxy-2,2-dimethylbutyl)propanamide
CID 106139288
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992
N-[2-(2-hydroxyethyl)pentyl]-3-phenylpropanamide
CID 103722786

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide (CID 106113357) is 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide is CCCC(CCO)CNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
The InChIKey is OUSZDVBRUKUMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-2-3-13(8-10-19)12-18-16(20)9-11-21-15-6-4-14(17)5-7-15/h4-7,13,19H,2-3,8-12,17H2,1H3,(H,18,20).
What are the key properties of 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide?
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide has a molecular weight of 294.39 g/mol, XLogP of 1.95, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide is sourced from PubChem (CID 106113357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).