3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

C14H22N2O3 — CID 61094495

IUPAC3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H22N2O3/c1-11(2)16(7-8-17)14(18)6-9-19-13-5-3-4-12(15)10-13/h3-5,10-11,17H,6-9,15H2,1-2H3
InChIKeyITLGKGQHHLRKSN-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.27
Rot. Bonds7

About 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide

3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (PubChem CID 61094495) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
PubChem CID61094495
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Name3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
SMILESCC(C)N(CCO)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H22N2O3/c1-11(2)16(7-8-17)14(18)6-9-19-13-5-3-4-12(15)10-13/h3-5,10-11,17H,6-9,15H2,1-2H3
InChIKeyITLGKGQHHLRKSN-UHFFFAOYSA-N
XLogP1.27
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-hydroxyethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 43573145
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
N-(2-hydroxyethyl)-3-(4-methoxyphenoxy)-N-propan-2-ylpropanamide
CID 43573753
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
N-(2-bromoethyl)-3-(3-methylphenoxy)-N-propan-2-ylpropanamide
CID 80666425
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
3-[3-[methyl(propan-2-yl)amino]propoxy]aniline
CID 43365525
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide (CID 61094495) is 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is CC(C)N(CCO)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
The InChIKey is ITLGKGQHHLRKSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-11(2)16(7-8-17)14(18)6-9-19-13-5-3-4-12(15)10-13/h3-5,10-11,17H,6-9,15H2,1-2H3.
What are the key properties of 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide?
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide has a molecular weight of 266.34 g/mol, XLogP of 1.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide is sourced from PubChem (CID 61094495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).