N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide

C13H20N2O2 — CID 20567171

IUPACN-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCCCOc1cccc(C(C)N)c1
InChIInChI=1S/C13H20N2O2/c1-10(14)12-5-3-6-13(9-12)17-8-4-7-15-11(2)16/h3,5-6,9-10H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyRDRFTEYENXYHQL-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.61
Rot. Bonds6

About N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide

N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide (PubChem CID 20567171) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
PubChem CID20567171
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC NameN-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide
SMILESCC(=O)NCCCOc1cccc(C(C)N)c1
InChIInChI=1S/C13H20N2O2/c1-10(14)12-5-3-6-13(9-12)17-8-4-7-15-11(2)16/h3,5-6,9-10H,4,7-8,14H2,1-2H3,(H,15,16)
InChIKeyRDRFTEYENXYHQL-UHFFFAOYSA-N
XLogP1.61
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 78937481
2-[3-[(1S)-1-aminoethyl]phenoxy]-N-(3-methoxypropyl)propanamide
CID 63367423
methyl 4-[3-(1-aminoethyl)phenoxy]butanoate
CID 60879024
4-[3-[(1R)-1-aminoethyl]phenoxy]-N-methylbutanamide
CID 78953849
N-[3-[3-(3-aminophenyl)phenoxy]propyl]acetamide
CID 162362116
3-[3-[(1R)-1-aminoethyl]phenoxy]-N-propan-2-ylpropanamide
CID 55190813
1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104646853
(1R)-1-[3-(4-methoxybutoxy)phenyl]ethanamine
CID 104647096
methyl 4-[2-[2-[6-[3-[(1S)-1-aminoethyl]phenoxy]hexoxy]ethoxy]ethoxy]butanoate
CID 164593088
(1S)-1-[3-(3-methylbutoxy)phenyl]ethanamine
CID 30071838
(1S)-1-[3-(2-fluoroethoxy)phenyl]ethanamine
CID 80698499
3-[3-[(1S)-1-aminoethyl]phenoxy]-N-cyclopropylpropanamide
CID 63367378

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide?
The IUPAC name of N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide (CID 20567171) is N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide.
What is the SMILES notation for N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide?
The canonical SMILES for N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide is CC(=O)NCCCOc1cccc(C(C)N)c1.
What is the InChIKey of N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide?
The InChIKey is RDRFTEYENXYHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-10(14)12-5-3-6-13(9-12)17-8-4-7-15-11(2)16/h3,5-6,9-10H,4,7-8,14H2,1-2H3,(H,15,16).
What are the key properties of N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide?
N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide has a molecular weight of 236.31 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(1-aminoethyl)phenoxy]propyl]acetamide is sourced from PubChem (CID 20567171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).