3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide

C16H24N2O3 — CID 61114635

IUPAC3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H24N2O3/c1-2-18(11-13-6-8-20-12-13)16(19)7-9-21-15-5-3-4-14(17)10-15/h3-5,10,13H,2,6-9,11-12,17H2,1H3
InChIKeyQEMZUFGNTALGEA-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.92
Rot. Bonds7

About 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide

3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide (PubChem CID 61114635) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
PubChem CID61114635
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide
SMILESCCN(CC1CCOC1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C16H24N2O3/c1-2-18(11-13-6-8-20-12-13)16(19)7-9-21-15-5-3-4-14(17)10-15/h3-5,10,13H,2,6-9,11-12,17H2,1H3
InChIKeyQEMZUFGNTALGEA-UHFFFAOYSA-N
XLogP1.92
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
4-ethoxy-N-[2-[ethyl(oxolan-3-ylmethyl)amino]-2-oxoethyl]benzamide
CID 51098454
4-[3-[methyl-[[(3S)-oxolan-3-yl]methyl]amino]-3-oxopropoxy]benzamide
CID 99814284
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
N-ethyl-2-(N-ethylanilino)-N-(oxolan-3-ylmethyl)acetamide
CID 51097037
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
3-amino-N-ethyl-N-(oxolan-3-ylmethyl)-3-phenylpropanamide
CID 60953285

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide (CID 61114635) is 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide is CCN(CC1CCOC1)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
The InChIKey is QEMZUFGNTALGEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-2-18(11-13-6-8-20-12-13)16(19)7-9-21-15-5-3-4-14(17)10-15/h3-5,10,13H,2,6-9,11-12,17H2,1H3.
What are the key properties of 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide?
3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide has a molecular weight of 292.38 g/mol, XLogP of 1.92, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-ethyl-N-(oxolan-3-ylmethyl)propanamide is sourced from PubChem (CID 61114635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).