N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide

C12H18N2O3 — CID 110834177

IUPACN-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)CN)cc1
InChIInChI=1S/C12H18N2O3/c1-9(7-13)14-12(15)8-17-11-5-3-10(16-2)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyLCFZUPMCYCEJHW-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.54
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide

N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide (PubChem CID 110834177) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
PubChem CID110834177
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide
SMILESCOc1ccc(OCC(=O)NC(C)CN)cc1
InChIInChI=1S/C12H18N2O3/c1-9(7-13)14-12(15)8-17-11-5-3-10(16-2)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15)
InChIKeyLCFZUPMCYCEJHW-UHFFFAOYSA-N
XLogP0.54
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-hydroxypropan-2-yl]-2-(4-methoxyphenoxy)acetamide
CID 79031134
N-(1-aminopropan-2-yl)-2-phenoxyacetamide
CID 63732380
N-[(2R)-1-aminopropan-2-yl]-2-(4-methoxyphenyl)acetamide
CID 104872813
N-[(2S)-1-aminopropan-2-yl]-2-(3,4-dimethylphenoxy)acetamide;hydrochloride
CID 120507366
2-(4-methoxyphenoxy)-N-pentan-3-ylacetamide
CID 877838
N-(1,3-dihydroxypropan-2-yl)-2-(4-methoxyphenoxy)acetamide
CID 65313044
N-[(2S)-1-aminopropan-2-yl]-2-(3-methoxy-4-nitrophenoxy)acetamide
CID 120507649
2-(4-methoxyphenoxy)-N-[(1R)-1-(4-methoxyphenyl)-2-methylpropyl]acetamide
CID 9048684
N-(1-aminopropan-2-yl)-2-(3-methylphenoxy)acetamide
CID 110834120
2-(4-methoxyphenoxy)-N-[(1R)-1-phenylethyl]acetamide
CID 836085
N-[(2S)-1-aminopropan-2-yl]-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 120506340
N-[(2R)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)acetamide
CID 104872802

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide (CID 110834177) is N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide is COc1ccc(OCC(=O)NC(C)CN)cc1.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
The InChIKey is LCFZUPMCYCEJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-9(7-13)14-12(15)8-17-11-5-3-10(16-2)4-6-11/h3-6,9H,7-8,13H2,1-2H3,(H,14,15).
What are the key properties of N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide?
N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.54, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-(4-methoxyphenoxy)acetamide is sourced from PubChem (CID 110834177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).