3-(3-aminophenoxy)-N-butyl-N-methylpropanamide

C14H22N2O2 — CID 61091184

IUPAC3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16(2)14(17)8-10-18-13-7-5-6-12(15)11-13/h5-7,11H,3-4,8-10,15H2,1-2H3
InChIKeyPJOHNVBNXALARH-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.30
Rot. Bonds7

About 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide

3-(3-aminophenoxy)-N-butyl-N-methylpropanamide (PubChem CID 61091184) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
PubChem CID61091184
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
SMILESCCCCN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C14H22N2O2/c1-3-4-9-16(2)14(17)8-10-18-13-7-5-6-12(15)11-13/h5-7,11H,3-4,8-10,15H2,1-2H3
InChIKeyPJOHNVBNXALARH-UHFFFAOYSA-N
XLogP2.30
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-(3-aminophenoxy)-N-methyl-N-(pyridin-4-ylmethyl)propanamide
CID 61095622
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
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
2-[3-(3-aminophenoxy)propyl-methylamino]-N,N-dimethylacetamide
CID 43374542
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide (CID 61091184) is 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide is CCCCN(C)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide?
The InChIKey is PJOHNVBNXALARH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-3-4-9-16(2)14(17)8-10-18-13-7-5-6-12(15)11-13/h5-7,11H,3-4,8-10,15H2,1-2H3.
What are the key properties of 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide?
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide has a molecular weight of 250.34 g/mol, XLogP of 2.30, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-butyl-N-methylpropanamide is sourced from PubChem (CID 61091184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).