5-[4-(2-aminoethyl)phenoxy]pentanamide

C13H20N2O2 — CID 114281504

IUPAC5-[4-(2-aminoethyl)phenoxy]pentanamide
SMILESNCCc1ccc(OCCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c14-9-8-11-4-6-12(7-5-11)17-10-2-1-3-13(15)16/h4-7H,1-3,8-10,14H2,(H2,15,16)
InChIKeyYYNQBDYZNWZAQW-UHFFFAOYSA-N
MW236.31 g/mol
LogP1.22
Rot. Bonds8

About 5-[4-(2-aminoethyl)phenoxy]pentanamide

5-[4-(2-aminoethyl)phenoxy]pentanamide (PubChem CID 114281504) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is 5-[4-(2-aminoethyl)phenoxy]pentanamide.

Molecular Properties

Compound Name5-[4-(2-aminoethyl)phenoxy]pentanamide
PubChem CID114281504
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Name5-[4-(2-aminoethyl)phenoxy]pentanamide
SMILESNCCc1ccc(OCCCCC(N)=O)cc1
InChIInChI=1S/C13H20N2O2/c14-9-8-11-4-6-12(7-5-11)17-10-2-1-3-13(15)16/h4-7H,1-3,8-10,14H2,(H2,15,16)
InChIKeyYYNQBDYZNWZAQW-UHFFFAOYSA-N
XLogP1.22
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 51.22
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-[4-[7-[4-(2-aminoethyl)phenoxy]heptoxy]phenyl]ethanamine
CID 138454042
[4-[2-[4-(2-aminoethyl)phenoxy]ethoxy]phenyl]methanol
CID 61229719
4-(11-amino-11-oxoundecoxy)benzoic acid
CID 141366511
2-[4-(5-phenylpentoxy)phenyl]ethanamine
CID 22929603
ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
2-[4-(3-phenylpropoxy)phenyl]ethanamine;hydrochloride
CID 11680862
5-(4-methoxyphenyl)pentanamide
CID 134389506
2-[4-(3-methylsulfonylpropoxy)phenyl]ethanamine
CID 63190771
18-[4-(18-amino-18-oxooctadecyl)phenyl]octadecanamide
CID 66765992
2-(4-propoxyphenyl)ethanamine;hydrochloride
CID 3043938
4-(4-fluorophenoxy)butanamide
CID 43244704
[4-(2-aminoethyl)phenyl] hydrogen carbonate;hydrochloride
CID 171616803

Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-aminoethyl)phenoxy]pentanamide?
The IUPAC name of 5-[4-(2-aminoethyl)phenoxy]pentanamide (CID 114281504) is 5-[4-(2-aminoethyl)phenoxy]pentanamide.
What is the SMILES notation for 5-[4-(2-aminoethyl)phenoxy]pentanamide?
The canonical SMILES for 5-[4-(2-aminoethyl)phenoxy]pentanamide is NCCc1ccc(OCCCCC(N)=O)cc1.
What is the InChIKey of 5-[4-(2-aminoethyl)phenoxy]pentanamide?
The InChIKey is YYNQBDYZNWZAQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c14-9-8-11-4-6-12(7-5-11)17-10-2-1-3-13(15)16/h4-7H,1-3,8-10,14H2,(H2,15,16).
What are the key properties of 5-[4-(2-aminoethyl)phenoxy]pentanamide?
5-[4-(2-aminoethyl)phenoxy]pentanamide has a molecular weight of 236.31 g/mol, XLogP of 1.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-aminoethyl)phenoxy]pentanamide is sourced from PubChem (CID 114281504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).