N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride

C21H29ClN2O3 — CID 119571605

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)COc1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-3-21(4-2,16-22)23-20(24)15-26-19-13-9-8-12-18(19)25-14-17-10-6-5-7-11-17;/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24);1H
InChIKeyQWMUYBDEXCOTNS-UHFFFAOYSA-N
MW392.93 g/mol
LogP3.70
Rot. Bonds10

About N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride

N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride (PubChem CID 119571605) has the molecular formula C21H29ClN2O3 and a molecular weight of 392.93 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
PubChem CID119571605
Molecular FormulaC21H29ClN2O3
Molecular Weight392.93 g/mol
Exact Mass392.19
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
SMILESCCC(CC)(CN)NC(=O)COc1ccccc1OCc1ccccc1.Cl
InChIInChI=1S/C21H28N2O3.ClH/c1-3-21(4-2,16-22)23-20(24)15-26-19-13-9-8-12-18(19)25-14-17-10-6-5-7-11-17;/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24);1H
InChIKeyQWMUYBDEXCOTNS-UHFFFAOYSA-N
XLogP3.70
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.93
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119569079
N-[3-(aminomethyl)pentan-3-yl]-3-phenylmethoxypropanamide;hydrochloride
CID 119569536
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
N-(2-amino-2-ethylbutyl)-2-(2-phenylmethoxyphenoxy)acetamide
CID 119643357
2-(2-aminophenoxy)-N-(3-ethylpentan-3-yl)acetamide
CID 65037879
N-[3-(aminomethyl)pentan-3-yl]-2-naphthalen-2-yloxyacetamide;hydrochloride
CID 119568650
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-(1-amino-2-methylpropan-2-yl)-2-(2-ethoxyphenoxy)acetamide
CID 119522316
N-[3-(aminomethyl)pentan-3-yl]-3-(2-phenylphenoxy)propanamide
CID 119570911
2-[2-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-2-oxoethoxy]benzamide
CID 103604623
N-[3-(aminomethyl)pentan-3-yl]-3-(2-fluorophenoxy)propanamide
CID 119569535
N-[3-(aminomethyl)pentan-3-yl]-2-(4-pyridin-2-yloxyphenoxy)acetamide;dihydrochloride
CID 119568739

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride (CID 119571605) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride is CCC(CC)(CN)NC(=O)COc1ccccc1OCc1ccccc1.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
The InChIKey is QWMUYBDEXCOTNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3.ClH/c1-3-21(4-2,16-22)23-20(24)15-26-19-13-9-8-12-18(19)25-14-17-10-6-5-7-11-17;/h5-13H,3-4,14-16,22H2,1-2H3,(H,23,24);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride has a molecular weight of 392.93 g/mol, XLogP of 3.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119571605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).