3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

C15H23N3O3 — CID 61138990

IUPAC3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)17-14(19)10-18(3)15(20)7-8-21-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyNIMDRYRZDRAEIC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.02
Rot. Bonds7

About 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide

3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (PubChem CID 61138990) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
PubChem CID61138990
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide
SMILESCC(C)NC(=O)CN(C)C(=O)CCOc1cccc(N)c1
InChIInChI=1S/C15H23N3O3/c1-11(2)17-14(19)10-18(3)15(20)7-8-21-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,19)
InChIKeyNIMDRYRZDRAEIC-UHFFFAOYSA-N
XLogP1.02
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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

4-(3-bromophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]butanamide
CID 9475836
3-(3-aminophenoxy)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61093289
3-(3-aminophenoxy)-N-(2-cyanopropyl)-N-methylpropanamide
CID 61116829
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112
N-(2-amino-2-oxoethyl)-3-(3-aminophenoxy)-N-propan-2-ylpropanamide
CID 61093681
3-(3-aminophenoxy)-N-butyl-N-methylpropanamide
CID 61091184
3-(3-aminophenoxy)-N-(2-hydroxyethyl)-N-propan-2-ylpropanamide
CID 61094495
3-(3-aminophenoxy)-N-(2-cyanoethyl)-N-methylpropanamide
CID 61093339
3-(3-aminophenoxy)-N-(1-methylsulfanylpropan-2-yl)propanamide
CID 113472643
2-[3-(3-aminophenoxy)propanoylamino]-N-methylpropanamide
CID 61464065
3-(3-iodophenoxy)-N-propan-2-ylpropanamide
CID 55210430
3-(3-aminophenoxy)-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]propanamide
CID 61105154

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide (CID 61138990) is 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is CC(C)NC(=O)CN(C)C(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
The InChIKey is NIMDRYRZDRAEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-11(2)17-14(19)10-18(3)15(20)7-8-21-13-6-4-5-12(16)9-13/h4-6,9,11H,7-8,10,16H2,1-3H3,(H,17,19).
What are the key properties of 3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide?
3-(3-aminophenoxy)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide has a molecular weight of 293.37 g/mol, XLogP of 1.02, 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-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]propanamide is sourced from PubChem (CID 61138990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).