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

C15H25ClN2O2 — CID 119497520

IUPACN-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)NCCC(C)N)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-4-5-14(12(2)10-11)19-9-7-15(18)17-8-6-13(3)16;/h4-5,10,13H,6-9,16H2,1-3H3,(H,17,18);1H
InChIKeyNZNBQAXFIDXBTI-UHFFFAOYSA-N
MW300.83 g/mol
LogP2.35
Rot. Bonds7

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

N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride (PubChem CID 119497520) has the molecular formula C15H25ClN2O2 and a molecular weight of 300.83 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
PubChem CID119497520
Molecular FormulaC15H25ClN2O2
Molecular Weight300.83 g/mol
Exact Mass300.16
IUPAC NameN-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
SMILESCc1ccc(OCCC(=O)NCCC(C)N)c(C)c1.Cl
InChIInChI=1S/C15H24N2O2.ClH/c1-11-4-5-14(12(2)10-11)19-9-7-15(18)17-8-6-13(3)16;/h4-5,10,13H,6-9,16H2,1-3H3,(H,17,18);1H
InChIKeyNZNBQAXFIDXBTI-UHFFFAOYSA-N
XLogP2.35
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.83
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-3-(3-methylphenoxy)propanamide;hydrochloride
CID 119497343
N-(3-aminobutyl)-3-(2,4-dichlorophenoxy)propanamide;hydrochloride
CID 119498285
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986
3-(2,4-dimethylphenoxy)-N-(2-hydroxy-4-methylpentyl)propanamide
CID 103771125
3-(2,4-dimethylphenoxy)-N-(3,3,3-trifluoro-2-hydroxypropyl)propanamide
CID 103730620
3-(2,5-dimethylphenoxy)-N-(4-hydroxy-2-methylbutyl)propanamide
CID 66107764
3-(2,4-dimethylphenoxy)-N-(1-hydroxypentan-3-yl)propanamide
CID 115735175
3-(2,4-dimethylphenoxy)-N-(2-ethyl-2-hydroxybutyl)propanamide
CID 65113922
N-[3-(2,4-dimethylphenoxy)propyl]propanamide
CID 20669618
3-(2,5-dimethylphenoxy)-N-propylpropanamide
CID 60637796
4-[3-(2,5-dimethylphenoxy)propanoylamino]butanamide
CID 56812747
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride (CID 119497520) is N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride is Cc1ccc(OCCC(=O)NCCC(C)N)c(C)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride?
The InChIKey is NZNBQAXFIDXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2.ClH/c1-11-4-5-14(12(2)10-11)19-9-7-15(18)17-8-6-13(3)16;/h4-5,10,13H,6-9,16H2,1-3H3,(H,17,18);1H.
What are the key properties of N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride?
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride has a molecular weight of 300.83 g/mol, XLogP of 2.35, 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-dimethylphenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119497520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).