N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride

C14H23ClN2O2 — CID 119497986

IUPACN-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(C)c(OCC(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-4-5-11(2)13(8-10)18-9-14(17)16-7-6-12(3)15;/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17);1H
InChIKeyAZTDDSBKRIVAAN-UHFFFAOYSA-N
MW286.80 g/mol
LogP1.96
Rot. Bonds6

About N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride

N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride (PubChem CID 119497986) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
PubChem CID119497986
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC NameN-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
SMILESCc1ccc(C)c(OCC(=O)NCCC(C)N)c1.Cl
InChIInChI=1S/C14H22N2O2.ClH/c1-10-4-5-11(2)13(8-10)18-9-14(17)16-7-6-12(3)15;/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17);1H
InChIKeyAZTDDSBKRIVAAN-UHFFFAOYSA-N
XLogP1.96
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
2-(2,5-dimethylphenoxy)-N-[8-[[2-(2,5-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233348
2-(2,5-dimethylphenoxy)-N-(2-hydroxypropyl)acetamide
CID 43391088
N-(3-aminobutyl)-3-(2,4-dimethylphenoxy)propanamide;hydrochloride
CID 119497520
N-(3-aminobutyl)-2-(2-methoxyphenoxy)acetamide;hydrochloride
CID 119494768
N-[3-(dimethylamino)propyl]-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 163329160
2-[2-(1-aminoethyl)-4-methylphenoxy]-N-(3-methylbutyl)acetamide
CID 61486605
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
CID 119497344
2-(2,5-dimethylphenoxy)-N-heptylacetamide
CID 3468528
2-(2,5-dimethylphenoxy)-N-(2-ethylhexyl)acetamide
CID 19167363
3-[[2-(2,5-dimethylphenoxy)acetyl]amino]-2-hydroxypropanoic acid
CID 66168097
2-(2,4-dimethylphenoxy)-N-(3,3-diphenylpropyl)acetamide
CID 39939589

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride (CID 119497986) is N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride is Cc1ccc(C)c(OCC(=O)NCCC(C)N)c1.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
The InChIKey is AZTDDSBKRIVAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2.ClH/c1-10-4-5-11(2)13(8-10)18-9-14(17)16-7-6-12(3)15;/h4-5,8,12H,6-7,9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride has a molecular weight of 286.80 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119497986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).