3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide

C14H22N2O2 — CID 61090650

IUPAC3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)7-9-16-14(17)8-10-18-13-5-3-12(15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyPTGLZHAVZOXCPI-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.20
Rot. Bonds7

About 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide

3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide (PubChem CID 61090650) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
PubChem CID61090650
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O2/c1-11(2)7-9-16-14(17)8-10-18-13-5-3-12(15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyPTGLZHAVZOXCPI-UHFFFAOYSA-N
XLogP2.20
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-hydroxybutyl)propanamide
CID 64929581
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
CID 104758179
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
3-(4-aminophenoxy)-N-[3-(methanesulfonamido)propyl]propanamide
CID 106332599
3-(4-aminophenoxy)-N-hexan-2-ylpropanamide
CID 62197862
3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
CID 106219813
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
3-(4-aminophenoxy)-N-[2-(2-hydroxyethyl)pentyl]propanamide
CID 106113357
N,N'-bis[5-(4-aminophenoxy)pentyl]pentanediamide;methanesulfonic acid
CID 21150343
3-(4-aminophenoxy)-N-(2,2-dimethylbutyl)propanamide
CID 103459992

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide (CID 61090650) is 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide?
The InChIKey is PTGLZHAVZOXCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-11(2)7-9-16-14(17)8-10-18-13-5-3-12(15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide?
3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide has a molecular weight of 250.34 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 61090650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).