3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

C15H22N2O2 — CID 61118042

IUPAC3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H22N2O2/c1-4-17(11-12(2)3)15(18)8-9-19-14-7-5-6-13(16)10-14/h5-7,10H,2,4,8-9,11,16H2,1,3H3
InChIKeyJMLCVQAKNNTFJS-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.46
Rot. Bonds7

About 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide

3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (PubChem CID 61118042) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
PubChem CID61118042
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
SMILESC=C(C)CN(CC)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H22N2O2/c1-4-17(11-12(2)3)15(18)8-9-19-14-7-5-6-13(16)10-14/h5-7,10H,2,4,8-9,11,16H2,1,3H3
InChIKeyJMLCVQAKNNTFJS-UHFFFAOYSA-N
XLogP2.46
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
CID 61114635
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
ethyl 2-[3-(3-bromophenoxy)propanoyl-ethylamino]acetate
CID 61012247
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-(3-aminophenoxy)-N-methyl-N-(1-methylsulfanylbutan-2-yl)propanamide
CID 115985181

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide (CID 61118042) is 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide is C=C(C)CN(CC)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
The InChIKey is JMLCVQAKNNTFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17(11-12(2)3)15(18)8-9-19-14-7-5-6-13(16)10-14/h5-7,10H,2,4,8-9,11,16H2,1,3H3.
What are the key properties of 3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide?
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide has a molecular weight of 262.35 g/mol, XLogP of 2.46, 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-ethyl-N-(2-methylprop-2-enyl)propanamide is sourced from PubChem (CID 61118042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).