N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride

C13H20Cl2N2O2 — CID 119497344

IUPACN-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
SMILESCc1cc(OCC(=O)NCCC(C)N)ccc1Cl.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-9-7-11(3-4-12(9)14)18-8-13(17)16-6-5-10(2)15;/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,17);1H
InChIKeyIZPLFIUXRDHCGC-UHFFFAOYSA-N
MW307.22 g/mol
LogP2.30
Rot. Bonds6

About N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride

N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride (PubChem CID 119497344) has the molecular formula C13H20Cl2N2O2 and a molecular weight of 307.22 g/mol. Its IUPAC name is N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
PubChem CID119497344
Molecular FormulaC13H20Cl2N2O2
Molecular Weight307.22 g/mol
Exact Mass306.09
IUPAC NameN-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride
SMILESCc1cc(OCC(=O)NCCC(C)N)ccc1Cl.Cl
InChIInChI=1S/C13H19ClN2O2.ClH/c1-9-7-11(3-4-12(9)14)18-8-13(17)16-6-5-10(2)15;/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,17);1H
InChIKeyIZPLFIUXRDHCGC-UHFFFAOYSA-N
XLogP2.30
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.22
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-2-(4-chlorophenoxy)acetamide;hydrochloride
CID 119497323
2-(4-chloro-3-methylphenoxy)-N-[8-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]octyl]acetamide
CID 17233325
N-(3-aminobutyl)-2-(3,5-dichlorophenoxy)acetamide;hydrochloride
CID 119496606
N-(3-aminobutyl)-2-(3-methylphenoxy)acetamide;hydrochloride
CID 119497988
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(3,4-dimethylphenoxy)-N-(3-methylbutyl)acetamide
CID 21368057
4-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]butanoic acid
CID 43239214
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711
2-(4-chloro-3-methylphenoxy)-N-[2-(2-fluorophenyl)ethyl]acetamide
CID 9289604
2-(4-chloro-3-methylphenoxy)-N-[(2S)-2-phenylpropyl]acetamide
CID 7794665
5-[[2-(4-chloro-3-methylphenoxy)acetyl]amino]-4-methylpentanoic acid
CID 82009951
N-(3-aminobutyl)-2-(2,5-dimethylphenoxy)acetamide;hydrochloride
CID 119497986

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride (CID 119497344) is N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride is Cc1cc(OCC(=O)NCCC(C)N)ccc1Cl.Cl.
What is the InChIKey of N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride?
The InChIKey is IZPLFIUXRDHCGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O2.ClH/c1-9-7-11(3-4-12(9)14)18-8-13(17)16-6-5-10(2)15;/h3-4,7,10H,5-6,8,15H2,1-2H3,(H,16,17);1H.
What are the key properties of N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride?
N-(3-aminobutyl)-2-(4-chloro-3-methylphenoxy)acetamide;hydrochloride has a molecular weight of 307.22 g/mol, XLogP of 2.30, 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-(4-chloro-3-methylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119497344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).