5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide

C13H19ClN2O3 — CID 89167610

IUPAC5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide
SMILESNCCCCC(=O)NOCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c14-11-4-6-12(7-5-11)18-9-10-19-16-13(17)3-1-2-8-15/h4-7H,1-3,8-10,15H2,(H,16,17)
InChIKeyLPJHGWMBIJKRSU-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.90
Rot. Bonds9

About 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide

5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide (PubChem CID 89167610) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide.

Molecular Properties

Compound Name5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide
PubChem CID89167610
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide
SMILESNCCCCC(=O)NOCCOc1ccc(Cl)cc1
InChIInChI=1S/C13H19ClN2O3/c14-11-4-6-12(7-5-11)18-9-10-19-16-13(17)3-1-2-8-15/h4-7H,1-3,8-10,15H2,(H,16,17)
InChIKeyLPJHGWMBIJKRSU-UHFFFAOYSA-N
XLogP1.90
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(4-chlorophenoxy)butanehydrazide
CID 61059745
4-amino-N-[2-(4-chlorophenoxy)ethyl]butanamide;hydrochloride
CID 119271547
N-(2-methoxyethoxy)-4-(4-methylphenoxy)butanamide
CID 79676685
3-(4-chlorophenoxy)propan-1-amine;hydrochloride
CID 53439626
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
2-(4-chlorophenoxy)ethyl hexanoate
CID 13257641
5-(4-chlorophenoxy)pentanoate
CID 7037411
5-[4-(4-chlorophenoxy)butoxy]pentan-1-amine
CID 82353611
7-amino-N-[2-(4-bromophenoxy)ethyl]heptanamide
CID 119757498
5-amino-N-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pentanamide
CID 89167805
3-[4-(4-chlorophenoxy)phenoxy]propan-1-amine
CID 154815318
6-amino-N-(3-phenoxypropyl)hexanamide
CID 62074464

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide?
The IUPAC name of 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide (CID 89167610) is 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide.
What is the SMILES notation for 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide?
The canonical SMILES for 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide is NCCCCC(=O)NOCCOc1ccc(Cl)cc1.
What is the InChIKey of 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide?
The InChIKey is LPJHGWMBIJKRSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c14-11-4-6-12(7-5-11)18-9-10-19-16-13(17)3-1-2-8-15/h4-7H,1-3,8-10,15H2,(H,16,17).
What are the key properties of 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide?
5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide has a molecular weight of 286.76 g/mol, XLogP of 1.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(4-chlorophenoxy)ethoxy]pentanamide is sourced from PubChem (CID 89167610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).