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

C12H18N2O3 — CID 61036344

IUPAC2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cccc(N)c1
InChIInChI=1S/C12H18N2O3/c1-16-7-3-6-14-12(15)9-17-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyBVOGWXJFBKCTJR-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.80
Rot. Bonds7

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

2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide (PubChem CID 61036344) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
PubChem CID61036344
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)COc1cccc(N)c1
InChIInChI=1S/C12H18N2O3/c1-16-7-3-6-14-12(15)9-17-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15)
InChIKeyBVOGWXJFBKCTJR-UHFFFAOYSA-N
XLogP0.80
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.80
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

3-(3-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 61095538
2-(3-aminophenoxy)-N-(3-propoxypropyl)acetamide
CID 82950283
2-(3-fluorophenoxy)-N-(3-methoxypropyl)acetamide
CID 60626010
2-(3-ethylphenoxy)-N-(3-methoxypropyl)acetamide
CID 60623442
2-[3-(1-hydroxyethyl)phenoxy]-N-(3-methoxypropyl)acetamide
CID 61486589
2-(3-aminophenoxy)-N-ethylacetamide
CID 16775097
2-amino-5-[2-(3-methoxypropylamino)-2-oxoethoxy]benzoic acid
CID 107077027
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
2-(3-butoxyphenoxy)-N-(2-methoxyethyl)acetamide
CID 4733178
2-(3-aminophenoxy)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]acetamide
CID 79353305
2-(3-aminophenoxy)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
CID 61090094
4-[[2-(3-aminophenoxy)acetyl]amino]-N-cyclopropylbutanamide
CID 79378028

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide (CID 61036344) is 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide is COCCCNC(=O)COc1cccc(N)c1.
What is the InChIKey of 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide?
The InChIKey is BVOGWXJFBKCTJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-16-7-3-6-14-12(15)9-17-11-5-2-4-10(13)8-11/h2,4-5,8H,3,6-7,9,13H2,1H3,(H,14,15).
What are the key properties of 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide?
2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.80, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenoxy)-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 61036344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).