3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide

C14H22N2O3 — CID 104758179

IUPAC3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-11(2)18-10-8-16-14(17)7-9-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyNOMDSUSNCAMMAT-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.58
Rot. Bonds8

About 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide

3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide (PubChem CID 104758179) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
PubChem CID104758179
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide
SMILESCC(C)OCCNC(=O)CCOc1ccc(N)cc1
InChIInChI=1S/C14H22N2O3/c1-11(2)18-10-8-16-14(17)7-9-19-13-5-3-12(15)4-6-13/h3-6,11H,7-10,15H2,1-2H3,(H,16,17)
InChIKeyNOMDSUSNCAMMAT-UHFFFAOYSA-N
XLogP1.58
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
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': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(4-aminophenoxy)-N-(3-methylbutyl)propanamide
CID 61090650
3-(4-aminophenoxy)-N-(3-hydroxybutyl)propanamide
CID 64929581
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
2-[4-(aminomethyl)phenoxy]-N-(2-propan-2-yloxyethyl)acetamide
CID 104758382
3-(4-aminophenoxy)-N-pent-4-ynylpropanamide
CID 106219813
4-(4-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 21367640
3-(4-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102913
N-[2-(4-aminophenoxy)ethyl]-3-(4-methylphenyl)propanamide
CID 84816880
N-[2-(4-aminophenoxy)ethyl]-3,3-dimethylbutanamide
CID 54915240

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide?
The IUPAC name of 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide (CID 104758179) is 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide.
What is the SMILES notation for 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide?
The canonical SMILES for 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide is CC(C)OCCNC(=O)CCOc1ccc(N)cc1.
What is the InChIKey of 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide?
The InChIKey is NOMDSUSNCAMMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)18-10-8-16-14(17)7-9-19-13-5-3-12(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-(2-propan-2-yloxyethyl)propanamide?
3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide has a molecular weight of 266.34 g/mol, XLogP of 1.58, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenoxy)-N-(2-propan-2-yloxyethyl)propanamide is sourced from PubChem (CID 104758179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).