2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide

C13H20N2O3 — CID 60747305

IUPAC2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccccc1N
InChIInChI=1S/C13H20N2O3/c1-10(13(16)15-8-5-9-17-2)18-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyIVQPMVBUBMCKTC-UHFFFAOYSA-N
MW252.31 g/mol
LogP1.19
Rot. Bonds7

About 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide

2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 60747305) has the molecular formula C13H20N2O3 and a molecular weight of 252.31 g/mol. Its IUPAC name is 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID60747305
Molecular FormulaC13H20N2O3
Molecular Weight252.31 g/mol
Exact Mass252.15
IUPAC Name2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1ccccc1N
InChIInChI=1S/C13H20N2O3/c1-10(13(16)15-8-5-9-17-2)18-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16)
InChIKeyIVQPMVBUBMCKTC-UHFFFAOYSA-N
XLogP1.19
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
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-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-[2-(1-hydroxypropyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 43503502
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
2-(5-amino-2-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 43520147
2-(4-amino-2,5-difluorophenoxy)-N-(3-methoxypropyl)propanamide
CID 63598467
2-(2-ethylphenoxy)-N-(2-methoxyethyl)propanamide
CID 53284936
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
2-(2-amino-4-methylphenoxy)-N-(2-methoxyethyl)propanamide
CID 61313403
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(2-carbamothioylphenoxy)-N-(2-methoxyethyl)propanamide
CID 43116911
2-[2-[(1S)-1-aminoethyl]-5-methylphenoxy]-N-(3-methoxypropyl)propanamide
CID 78946961

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide (CID 60747305) is 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1ccccc1N.
What is the InChIKey of 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is IVQPMVBUBMCKTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3/c1-10(13(16)15-8-5-9-17-2)18-12-7-4-3-6-11(12)14/h3-4,6-7,10H,5,8-9,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide?
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 252.31 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 60747305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).