3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide

C16H24N2O2 — CID 61095641

IUPAC3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-2-9-18(12-13-6-7-13)16(19)8-10-20-15-5-3-4-14(17)11-15/h3-5,11,13H,2,6-10,12,17H2,1H3
InChIKeyYOAQNHDIAHHCKW-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.69
Rot. Bonds8

About 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide

3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide (PubChem CID 61095641) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
PubChem CID61095641
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
SMILESCCCN(CC1CC1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H24N2O2/c1-2-9-18(12-13-6-7-13)16(19)8-10-20-15-5-3-4-14(17)11-15/h3-5,11,13H,2,6-10,12,17H2,1H3
InChIKeyYOAQNHDIAHHCKW-UHFFFAOYSA-N
XLogP2.69
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.69
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-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-[2-[cyclopropylmethyl(propan-2-yl)amino]ethoxy]aniline
CID 55001379
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-(2-aminophenoxy)-N-(cyclopropylmethyl)-N-propylacetamide
CID 43587192

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide (CID 61095641) is 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide is CCCN(CC1CC1)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide?
The InChIKey is YOAQNHDIAHHCKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-9-18(12-13-6-7-13)16(19)8-10-20-15-5-3-4-14(17)11-15/h3-5,11,13H,2,6-10,12,17H2,1H3.
What are the key properties of 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide?
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide has a molecular weight of 276.38 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide is sourced from PubChem (CID 61095641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).