2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide

C15H24N2O4 — CID 82000191

IUPAC2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cc(OC)ccc1C(C)N
InChIInChI=1S/C15H24N2O4/c1-11(16)13-6-5-12(20-3)9-14(13)21-10-15(18)17-7-4-8-19-2/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyPYORJVPEFXNRRZ-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.25
Rot. Bonds9

About 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide

2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide (PubChem CID 82000191) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
PubChem CID82000191
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cc(OC)ccc1C(C)N
InChIInChI=1S/C15H24N2O4/c1-11(16)13-6-5-12(20-3)9-14(13)21-10-15(18)17-7-4-8-19-2/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18)
InChIKeyPYORJVPEFXNRRZ-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
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-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 82000074
(1R)-1-[4-methoxy-2-(4-methoxybutoxy)phenyl]ethanamine
CID 104647162
2-[2-(1-aminoethyl)-5-fluorophenoxy]-N-(2-methoxyethyl)acetamide
CID 63066535
2-[4-[(1R)-1-aminoethyl]-2-methoxyphenoxy]-N-(3-methoxypropyl)acetamide
CID 63366894
2-[5-methoxy-2-(methylaminomethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486430
2-[5-fluoro-2-[(1S)-1-hydroxyethyl]phenoxy]-N-(3-methoxypropyl)acetamide
CID 63366214
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(2-methoxyethyl)acetamide
CID 78936347
4-[2-[(1R)-1-aminoethyl]-5-methoxyphenoxy]-N,N-dimethylbutanamide
CID 82001215
2-[2-[(1R)-1-aminoethyl]-5-bromophenoxy]-N-(3-methylbutyl)acetamide
CID 102946796
(1R)-1-[2-(2-bromoprop-2-enoxy)-4-methoxyphenyl]ethanamine
CID 82001145
2-[2-(aminomethyl)-5-methoxyphenoxy]-N-butylacetamide
CID 61485483
N-(2-methoxyethyl)-2-[5-methoxy-2-(methylaminomethyl)phenoxy]acetamide
CID 61487286

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide (CID 82000191) is 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1cc(OC)ccc1C(C)N.
What is the InChIKey of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
The InChIKey is PYORJVPEFXNRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-11(16)13-6-5-12(20-3)9-14(13)21-10-15(18)17-7-4-8-19-2/h5-6,9,11H,4,7-8,10,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide?
2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide has a molecular weight of 296.37 g/mol, XLogP of 1.25, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-aminoethyl)-5-methoxyphenoxy]-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 82000191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).