2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide

C12H18N2O3 — CID 54929037

IUPAC2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cccc(CC(C)N)c1OCC(N)=O
InChIInChI=1S/C12H18N2O3/c1-8(13)6-9-4-3-5-10(16-2)12(9)17-7-11(14)15/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15)
InChIKeyPPRDRQIFQUMIHB-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.45
Rot. Bonds6

About 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide

2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide (PubChem CID 54929037) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
PubChem CID54929037
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide
SMILESCOc1cccc(CC(C)N)c1OCC(N)=O
InChIInChI=1S/C12H18N2O3/c1-8(13)6-9-4-3-5-10(16-2)12(9)17-7-11(14)15/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15)
InChIKeyPPRDRQIFQUMIHB-UHFFFAOYSA-N
XLogP0.45
TPSA87.57 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 ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(hydroxymethyl)-6-methoxyphenoxy]acetamide
CID 964386
1-[3-methoxy-2-(2-methoxyethoxy)phenyl]propan-2-amine
CID 60907501
1-[2-(2,3-dichloroprop-2-enoxy)-3-methoxyphenyl]propan-2-amine
CID 79173484
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-prop-2-enylacetamide
CID 60907625
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-(cyclopropylmethyl)acetamide
CID 60907032
2-[2-(2-aminopropyl)-6-methoxyphenoxy]-N-cyclopropyl-N-methylacetamide
CID 61489248
1-[3-methoxy-2-(3-methylbutoxy)phenyl]propan-2-amine
CID 60907892
1-[3-methoxy-2-(2-propan-2-yloxyethoxy)phenyl]propan-2-amine
CID 61483304
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
1-[2-[(4-bromophenyl)methoxy]-3-methoxyphenyl]propan-2-amine
CID 60906800
1-[3-methoxy-2-(4,4,4-trifluorobutoxy)phenyl]propan-2-amine
CID 115517719
1-[3-methoxy-2-[(3-methylphenyl)methoxy]phenyl]propan-2-amine
CID 60906569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide (CID 54929037) is 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide is COc1cccc(CC(C)N)c1OCC(N)=O.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide?
The InChIKey is PPRDRQIFQUMIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8(13)6-9-4-3-5-10(16-2)12(9)17-7-11(14)15/h3-5,8H,6-7,13H2,1-2H3,(H2,14,15).
What are the key properties of 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide?
2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide has a molecular weight of 238.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-aminopropyl)-6-methoxyphenoxy]acetamide is sourced from PubChem (CID 54929037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).