3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide

C13H20N2O3 — CID 61095538

IUPAC3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-17-8-3-7-15-13(16)6-9-18-12-5-2-4-11(14)10-12/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16)
InChIKeyKWNXXVXDSNOGFZ-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.19
Rot. Bonds8

About 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide

3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 61095538) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID61095538
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)CCOc1cccc(N)c1
InChIInChI=1S/C13H20N2O3/c1-17-8-3-7-15-13(16)6-9-18-12-5-2-4-11(14)10-12/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16)
InChIKeyKWNXXVXDSNOGFZ-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
CID 61036344
3-(3-aminophenoxy)-N-[2-oxo-2-(propylamino)ethyl]propanamide
CID 61093079
3-(3-aminophenoxy)-N-[2-(dimethylamino)-2-oxoethyl]propanamide
CID 61093998
N-[2-(3-aminophenoxy)ethyl]-2-phenylacetamide
CID 39369561
N-[2-(3-aminophenoxy)ethyl]-3-phenylpropanamide
CID 39384701
3-(3-aminophenoxy)-N-(2-cyclopentylethyl)propanamide
CID 61102914
N-[2-(3-aminophenoxy)ethyl]-3-(2,2-difluoroethoxy)propanamide
CID 103205623
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
3-(3-aminophenyl)-N-[3-(2-methoxyethoxy)propyl]propanamide
CID 115341362
N-[2-(3-methoxyphenoxy)ethyl]-3-phenoxypropanamide
CID 113099798
N-[3-[3-(3-aminophenyl)phenoxy]propyl]acetamide
CID 162362116
3-(3-aminophenoxy)-N-(2-methoxyethyl)-N-methylpropanamide
CID 61128112

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide (CID 61095538) is 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)CCOc1cccc(N)c1.
What is the InChIKey of 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is KWNXXVXDSNOGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-17-8-3-7-15-13(16)6-9-18-12-5-2-4-11(14)10-12/h2,4-5,10H,3,6-9,14H2,1H3,(H,15,16).
What are the key properties of 3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide?
3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.19, 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-(3-methoxypropyl)propanamide is sourced from PubChem (CID 61095538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).