2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

C13H20Cl2N2O2 — CID 119506597

IUPAC2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-3-15-7-8-16-13(17)10(2)18-12-6-4-5-11(14)9-12;/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,16,17);1H
InChIKeyVGTSHCNPGNFKJB-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.25
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride

2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (PubChem CID 119506597) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
PubChem CID119506597
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC Name2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
SMILESCCNCCNC(=O)C(C)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-3-15-7-8-16-13(17)10(2)18-12-6-4-5-11(14)9-12;/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,16,17);1H
InChIKeyVGTSHCNPGNFKJB-UHFFFAOYSA-N
XLogP2.25
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.25
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

(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
(2S)-2-(3-chlorophenoxy)-N-(2-methylpropyl)propanamide
CID 966270
2-(3-chlorophenoxy)-N-(3-ethoxypropyl)propanamide
CID 46770327
(2S)-2-(3-chlorophenoxy)-N-(3-propan-2-yloxypropyl)propanamide
CID 92647207
N-(2-amino-2-methylpropyl)-2-(3-chlorophenoxy)propanamide
CID 81483033
2-(2-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119506587
3-[2-(3-chlorophenoxy)propanoylamino]-2-methoxypropanoic acid
CID 106107230
2-[[2-(3-chlorophenoxy)propanoylamino]methyl]butanoic acid
CID 65220537
(2S)-N-(2-tert-butylsulfanylethyl)-2-(3-chlorophenoxy)propanamide
CID 94012025

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The IUPAC name of 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride (CID 119506597) is 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is CCNCCNC(=O)C(C)Oc1cccc(Cl)c1.Cl.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
The InChIKey is VGTSHCNPGNFKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-3-15-7-8-16-13(17)10(2)18-12-6-4-5-11(14)9-12;/h4-6,9-10,15H,3,7-8H2,1-2H3,(H,16,17);1H.
What are the key properties of 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride?
2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride is sourced from PubChem (CID 119506597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).