N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride

C18H25ClN2O2 — CID 119568650

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)COc1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-3-18(4-2,13-19)20-17(21)12-22-16-10-9-14-7-5-6-8-15(14)11-16;/h5-11H,3-4,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyXGOCCMYKLCUYEE-UHFFFAOYSA-N
MW336.86 g/mol
LogP3.27
Rot. Bonds7

About N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride (PubChem CID 119568650) has the molecular formula C18H25ClN2O2 and a molecular weight of 336.86 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
PubChem CID119568650
Molecular FormulaC18H25ClN2O2
Molecular Weight336.86 g/mol
Exact Mass336.16
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)COc1ccc2ccccc2c1.Cl
InChIInChI=1S/C18H24N2O2.ClH/c1-3-18(4-2,13-19)20-17(21)12-22-16-10-9-14-7-5-6-8-15(14)11-16;/h5-11H,3-4,12-13,19H2,1-2H3,(H,20,21);1H
InChIKeyXGOCCMYKLCUYEE-UHFFFAOYSA-N
XLogP3.27
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.86
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885
N-(1-amino-2,3-dimethylbutan-2-yl)-2-naphthalen-2-yloxyacetamide
CID 119605476
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739
N-(2-amino-2-ethylbutyl)-2-naphthalen-2-yloxyacetamide
CID 119639639
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-[3-(aminomethyl)pentan-3-yl]-3-naphthalen-2-ylpropanamide
CID 119571535
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)acetohydrazide
CID 3108616
2-naphthalen-2-yloxy-N-pentan-3-ylacetamide
CID 24951700

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride (CID 119568650) is N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride is CCC(CC)(CN)NC(=O)COc1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride?
The InChIKey is XGOCCMYKLCUYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2.ClH/c1-3-18(4-2,13-19)20-17(21)12-22-16-10-9-14-7-5-6-8-15(14)11-16;/h5-11H,3-4,12-13,19H2,1-2H3,(H,20,21);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride has a molecular weight of 336.86 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride is sourced from PubChem (CID 119568650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).