2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide

C15H23ClN2O3 — CID 115958326

IUPAC2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C15H23ClN2O3/c1-10(17)9-12-5-4-6-13(16)14(12)21-11(2)15(19)18-7-8-20-3/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyYPAOJTOXYALDLE-UHFFFAOYSA-N
MW314.81 g/mol
LogP1.76
Rot. Bonds8

About 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide

2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide (PubChem CID 115958326) has the molecular formula C15H23ClN2O3 and a molecular weight of 314.81 g/mol. Its IUPAC name is 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
PubChem CID115958326
Molecular FormulaC15H23ClN2O3
Molecular Weight314.81 g/mol
Exact Mass314.14
IUPAC Name2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Oc1c(Cl)cccc1CC(C)N
InChIInChI=1S/C15H23ClN2O3/c1-10(17)9-12-5-4-6-13(16)14(12)21-11(2)15(19)18-7-8-20-3/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19)
InChIKeyYPAOJTOXYALDLE-UHFFFAOYSA-N
XLogP1.76
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.81
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-[2-(2-aminopropyl)-6-methylphenoxy]-N-(2-methoxyethyl)propanamide
CID 115958032
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 107715953
ethyl 2-[2-chloro-6-[(2-methoxyethylamino)methyl]phenoxy]propanoate
CID 115954967
1-[3-chloro-2-(3-methoxypropoxy)phenyl]propan-2-amine
CID 112615570
2-[2-(2-aminoethyl)-6-chlorophenoxy]-N-ethylpropanamide
CID 112615083
2-[3-chloro-2-(hydroxymethyl)phenoxy]-N-(2-methoxyethyl)propanamide
CID 114320670
2-[2-(2-aminobutyl)-6-chlorophenoxy]-N-methylpropanamide
CID 112615730
2-[2-(2-aminopropyl)-6-fluorophenoxy]-N-ethylpropanamide
CID 112615920
2-[2-(aminomethyl)-6-chlorophenoxy]-N-prop-2-ynylpropanamide
CID 112607862
2-[2-(2-aminobutyl)-6-chlorophenoxy]propanamide
CID 112615776

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide (CID 115958326) is 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Oc1c(Cl)cccc1CC(C)N.
What is the InChIKey of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
The InChIKey is YPAOJTOXYALDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O3/c1-10(17)9-12-5-4-6-13(16)14(12)21-11(2)15(19)18-7-8-20-3/h4-6,10-11H,7-9,17H2,1-3H3,(H,18,19).
What are the key properties of 2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide?
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide has a molecular weight of 314.81 g/mol, XLogP of 1.76, 8 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-chlorophenoxy]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 115958326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).