N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride

C19H27Cl2N3O3 — CID 119568739

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O3.2ClH/c1-3-19(4-2,14-20)22-17(23)13-24-15-8-10-16(11-9-15)25-18-7-5-6-12-21-18;;/h5-12H,3-4,13-14,20H2,1-2H3,(H,22,23);2*1H
InChIKeyBRAGMTTZDOZRLR-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.73
Rot. Bonds9

About N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride (PubChem CID 119568739) has the molecular formula C19H27Cl2N3O3 and a molecular weight of 416.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
PubChem CID119568739
Molecular FormulaC19H27Cl2N3O3
Molecular Weight416.35 g/mol
Exact Mass415.14
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
SMILESCCC(CC)(CN)NC(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl
InChIInChI=1S/C19H25N3O3.2ClH/c1-3-19(4-2,14-20)22-17(23)13-24-15-8-10-16(11-9-15)25-18-7-5-6-12-21-18;;/h5-12H,3-4,13-14,20H2,1-2H3,(H,22,23);2*1H
InChIKeyBRAGMTTZDOZRLR-UHFFFAOYSA-N
XLogP3.73
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073
N-propyl-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 36805335
N-[3-(aminomethyl)pentan-3-yl]-2-(4-propan-2-ylphenoxy)acetamide
CID 119570960
3-methoxy-2-methyl-2-[[2-(4-pyridin-2-yloxyphenoxy)acetyl]amino]propanoic acid
CID 120531785
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119652511
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-(2,6-dimethylcyclohexyl)-2-(4-pyridin-2-yloxyphenoxy)acetamide
CID 112817297
N-[3-(aminomethyl)pentan-3-yl]-4-phenoxybutanamide;hydrochloride
CID 119568655
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
N-[3-(aminomethyl)pentan-3-yl]-2-(3-propan-2-ylphenoxy)acetamide
CID 119571885

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride (CID 119568739) is N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride is CCC(CC)(CN)NC(=O)COc1ccc(Oc2ccccn2)cc1.Cl.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
The InChIKey is BRAGMTTZDOZRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.2ClH/c1-3-19(4-2,14-20)22-17(23)13-24-15-8-10-16(11-9-15)25-18-7-5-6-12-21-18;;/h5-12H,3-4,13-14,20H2,1-2H3,(H,22,23);2*1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride has a molecular weight of 416.35 g/mol, XLogP of 3.73, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride is sourced from PubChem (CID 119568739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).