2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide

C11H16N2O2 — CID 30072384

IUPAC2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
SMILESCC[C@@H](N)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C11H16N2O2/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyXXSRYMJGSSHORT-SNVBAGLBSA-N
MW208.26 g/mol
LogP0.96
Rot. Bonds5

About 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide

2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide (PubChem CID 30072384) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide.

Molecular Properties

Compound Name2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
PubChem CID30072384
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide
SMILESCC[C@@H](N)c1ccc(OCC(N)=O)cc1
InChIInChI=1S/C11H16N2O2/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H2,13,14)/t10-/m1/s1
InChIKeyXXSRYMJGSSHORT-SNVBAGLBSA-N
XLogP0.96
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[(1S)-1-aminopropyl]phenoxy]-N-carbamoylacetamide
CID 30072606
2-[2-amino-2-(4-ethoxyphenyl)ethoxy]acetamide
CID 61327412
2-[4-[(1R)-1-aminopropyl]phenoxy]-N,N-dimethylacetamide
CID 30078683
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-(3-methylbutan-2-yl)acetamide
CID 63367720
2-[4-(1-aminopropyl)phenoxy]-N-pentan-2-ylacetamide
CID 61489836
2-[4-(1-aminopropyl)phenoxy]-1-piperidin-1-ylethanone
CID 43186019
2-[4-[(1R)-1-aminopropyl]phenoxy]-N-cyclopropyl-N-methylacetamide
CID 78936986
2-[4-[(1S)-1-aminopropyl]phenoxy]-N-(2-methoxyethyl)acetamide
CID 78937320
2-(4-butoxyphenoxy)acetamide
CID 22974475
1-(4-propoxyphenyl)propan-1-amine
CID 16783118
1-[4-[(1R)-1-aminopropyl]phenoxy]butan-2-ol
CID 78937019
1-[4-[(1S)-1-aminopropyl]phenoxy]propan-2-ol
CID 63367838

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide?
The IUPAC name of 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide (CID 30072384) is 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide.
What is the SMILES notation for 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide?
The canonical SMILES for 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide is CC[C@@H](N)c1ccc(OCC(N)=O)cc1.
What is the InChIKey of 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide?
The InChIKey is XXSRYMJGSSHORT-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-10(12)8-3-5-9(6-4-8)15-7-11(13)14/h3-6,10H,2,7,12H2,1H3,(H2,13,14)/t10-/m1/s1.
What are the key properties of 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide?
2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide has a molecular weight of 208.26 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1R)-1-aminopropyl]phenoxy]acetamide is sourced from PubChem (CID 30072384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).