2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide

C15H24N2O4 — CID 43471430

IUPAC2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1c(CN)cccc1OC
InChIInChI=1S/C15H24N2O4/c1-11(15(18)17-8-5-9-19-2)21-14-12(10-16)6-4-7-13(14)20-3/h4,6-7,11H,5,8-10,16H2,1-3H3,(H,17,18)
InChIKeyRUTNCWBHWSUDAU-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.07
Rot. Bonds9

About 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide

2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide (PubChem CID 43471430) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
PubChem CID43471430
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1c(CN)cccc1OC
InChIInChI=1S/C15H24N2O4/c1-11(15(18)17-8-5-9-19-2)21-14-12(10-16)6-4-7-13(14)20-3/h4,6-7,11H,5,8-10,16H2,1-3H3,(H,17,18)
InChIKeyRUTNCWBHWSUDAU-UHFFFAOYSA-N
XLogP1.07
TPSA82.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-aminoethyl)-6-methoxyphenoxy]-N-butylpropanamide
CID 60904970
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-pentan-3-ylpropanamide
CID 43471427
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(2-bromophenoxy)-N-(3-methoxypropyl)propanamide
CID 43117125
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
N-ethyl-2-[2-(hydroxymethyl)-6-methoxyphenoxy]propanamide
CID 43471524
2-[2-(ethylaminomethyl)-6-methoxyphenoxy]-N-propylpropanamide
CID 43471966
2-[2-(2-aminobutyl)-6-methoxyphenoxy]-N-ethylpropanamide
CID 60908144
2-[3-(2-aminoethyl)phenoxy]-N-(3-methoxypropyl)propanamide
CID 60904827

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide (CID 43471430) is 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1c(CN)cccc1OC.
What is the InChIKey of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide?
The InChIKey is RUTNCWBHWSUDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(15(18)17-8-5-9-19-2)21-14-12(10-16)6-4-7-13(14)20-3/h4,6-7,11H,5,8-10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide?
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide has a molecular weight of 296.37 g/mol, XLogP of 1.07, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 43471430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).