3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

C15H23N3O3 — CID 61105154

IUPAC3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H23N3O3/c1-3-17-14(19)11-18(4-2)15(20)8-9-21-13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11,16H2,1-2H3,(H,17,19)
InChIKeyBXYVQDZMQXCXOF-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.02
Rot. Bonds8

About 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide

3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (PubChem CID 61105154) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
PubChem CID61105154
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
SMILESCCNC(=O)CN(CC)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H23N3O3/c1-3-17-14(19)11-18(4-2)15(20)8-9-21-13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11,16H2,1-2H3,(H,17,19)
InChIKeyBXYVQDZMQXCXOF-UHFFFAOYSA-N
XLogP1.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.02
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

3-(3-aminophenoxy)-N-ethyl-N-(2-methylprop-2-enyl)propanamide
CID 61118042
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
3-(3-aminophenoxy)-N-ethyl-N-phenylpropanamide
CID 61090934
ethyl 2-[ethyl-[3-(3-methylphenoxy)propanoyl]amino]acetate
CID 61022394
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
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

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide (CID 61105154) is 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is CCNC(=O)CN(CC)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
The InChIKey is BXYVQDZMQXCXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-3-17-14(19)11-18(4-2)15(20)8-9-21-13-7-5-6-12(16)10-13/h5-7,10H,3-4,8-9,11,16H2,1-2H3,(H,17,19).
What are the key properties of 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide?
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide is sourced from PubChem (CID 61105154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).