3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

C15H21N3O3 — CID 61093289

IUPAC3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H21N3O3/c1-18(10-14(19)17-12-5-6-12)15(20)7-8-21-13-4-2-3-11(16)9-13/h2-4,9,12H,5-8,10,16H2,1H3,(H,17,19)
InChIKeyLUXNQBOMXSUYES-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.77
Rot. Bonds7

About 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide

3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (PubChem CID 61093289) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
PubChem CID61093289
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H21N3O3/c1-18(10-14(19)17-12-5-6-12)15(20)7-8-21-13-4-2-3-11(16)9-13/h2-4,9,12H,5-8,10,16H2,1H3,(H,17,19)
InChIKeyLUXNQBOMXSUYES-UHFFFAOYSA-N
XLogP0.77
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.77
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-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
CID 61138990
3-(3-aminophenoxy)-N-(1-methylpiperidin-4-yl)propanamide
CID 61094992
2-(3-aminophenoxy)-N-(4-methylcyclohexyl)acetamide
CID 54916003
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61037277
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-(3-aminophenoxy)-N-(1-cyclopropylethyl)propanamide
CID 61095016
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154
3-(3-aminophenoxy)-N-(cyclopropylmethyl)-N-propylpropanamide
CID 61095641
3-(3-aminophenoxy)-N-(2-methylcyclopentyl)propanamide
CID 55173195
4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
CID 79378028

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide (CID 61093289) is 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is CN(CC(=O)NC1CC1)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
The InChIKey is LUXNQBOMXSUYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-18(10-14(19)17-12-5-6-12)15(20)7-8-21-13-4-2-3-11(16)9-13/h2-4,9,12H,5-8,10,16H2,1H3,(H,17,19).
What are the key properties of 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide?
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide has a molecular weight of 291.35 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide is sourced from PubChem (CID 61093289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).