N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride

C13H19Cl3N2O2 — CID 119498285

IUPACN-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O2.ClH/c1-9(16)4-6-17-13(18)5-7-19-12-3-2-10(14)8-11(12)15;/h2-3,8-9H,4-7,16H2,1H3,(H,17,18);1H
InChIKeyTXOKJXGQMFRQIH-UHFFFAOYSA-N
MW341.67 g/mol
LogP3.04
Rot. Bonds7

About N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride

N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride (PubChem CID 119498285) has the molecular formula C13H19Cl3N2O2 and a molecular weight of 341.67 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
PubChem CID119498285
Molecular FormulaC13H19Cl3N2O2
Molecular Weight341.67 g/mol
Exact Mass340.05
IUPAC NameN-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
SMILESCC(N)CCNC(=O)CCOc1ccc(Cl)cc1Cl.Cl
InChIInChI=1S/C13H18Cl2N2O2.ClH/c1-9(16)4-6-17-13(18)5-7-19-12-3-2-10(14)8-11(12)15;/h2-3,8-9H,4-7,16H2,1H3,(H,17,18);1H
InChIKeyTXOKJXGQMFRQIH-UHFFFAOYSA-N
XLogP3.04
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.67
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide;hydrochloride
CID 120561480
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
N-(3-aminobutyl)-4-(2-chlorophenoxy)butanamide
CID 119499643
4-(2,4-dichlorophenoxy)-N-[4-[4-(2,4-dichlorophenoxy)butanoylamino]butyl]butanamide
CID 2841733
3-(2,4-dichlorophenoxy)-N-(4-hydroxy-2-methylpentyl)propanamide
CID 111447156
4-[2-(2,4-dichlorophenoxy)ethylamino]-4-oxobutanoic acid
CID 9156378
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
N-(2-aminoethyl)-3-(2-chlorophenoxy)propanamide;hydrochloride
CID 119383062
3-(2,4-dichlorophenoxy)-N-methylpropanehydrazide
CID 116820473
4-(2,4-dichlorophenoxy)-N-[2-[4-(2,4-dichlorophenoxy)butanoylamino]propyl]butanamide
CID 3619651
N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
2-amino-N-[3-(2,4-dichlorophenoxy)propyl]pentanamide
CID 119306648

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride (CID 119498285) is N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride is CC(N)CCNC(=O)CCOc1ccc(Cl)cc1Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
The InChIKey is TXOKJXGQMFRQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18Cl2N2O2.ClH/c1-9(16)4-6-17-13(18)5-7-19-12-3-2-10(14)8-11(12)15;/h2-3,8-9H,4-7,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride has a molecular weight of 341.67 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119498285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).