2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide

C13H19ClN2O3 — CID 107715953

IUPAC2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-9(13(17)16-7-4-8-18-2)19-12-10(14)5-3-6-11(12)15/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyBQFVJBURVKVBKX-UHFFFAOYSA-N
MW286.76 g/mol
LogP1.84
Rot. Bonds7

About 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide

2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide (PubChem CID 107715953) has the molecular formula C13H19ClN2O3 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
PubChem CID107715953
Molecular FormulaC13H19ClN2O3
Molecular Weight286.76 g/mol
Exact Mass286.11
IUPAC Name2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide
SMILESCOCCCNC(=O)C(C)Oc1c(N)cccc1Cl
InChIInChI=1S/C13H19ClN2O3/c1-9(13(17)16-7-4-8-18-2)19-12-10(14)5-3-6-11(12)15/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,16,17)
InChIKeyBQFVJBURVKVBKX-UHFFFAOYSA-N
XLogP1.84
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminophenoxy)-N-(3-methoxypropyl)propanamide
CID 60747305
(2S)-2-(2-chlorophenoxy)-N-(3-methoxypropyl)propanamide
CID 42561381
2-[2-(aminomethyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 112607554
2-(2-amino-6-chlorophenoxy)-N-methylpropanamide
CID 107715753
2-[2-(2-aminopropyl)-6-chlorophenoxy]-N-(2-methoxyethyl)propanamide
CID 115958326
2-[2-(aminomethyl)-6-methoxyphenoxy]-N-(3-methoxypropyl)propanamide
CID 43471430
2-(2,3-dichlorophenoxy)-N-(2-methoxyethyl)propanamide
CID 46452752
(2S)-2-(3-methoxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 92673516
2-(4-chloro-3-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 53288853
3-fluoro-2-[1-(3-methoxypropylamino)-1-oxopropan-2-yl]oxybenzoic acid
CID 115956076
2-(2-formyl-6-methylphenoxy)-N-(3-methoxypropyl)propanamide
CID 115955495
2-(3-hydroxyphenoxy)-N-(3-methoxypropyl)propanamide
CID 43326339

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
The IUPAC name of 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide (CID 107715953) is 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
The canonical SMILES for 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide is COCCCNC(=O)C(C)Oc1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
The InChIKey is BQFVJBURVKVBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O3/c1-9(13(17)16-7-4-8-18-2)19-12-10(14)5-3-6-11(12)15/h3,5-6,9H,4,7-8,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide?
2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide has a molecular weight of 286.76 g/mol, XLogP of 1.84, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenoxy)-N-(3-methoxypropyl)propanamide is sourced from PubChem (CID 107715953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).