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

C16H27ClN2O2 — CID 119569079

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
SMILESCCc1ccccc1OCC(=O)NC(CC)(CC)CN.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-13-9-7-8-10-14(13)20-11-15(19)18-16(5-2,6-3)12-17;/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyRKMIIMOBSIKIPY-UHFFFAOYSA-N
MW314.86 g/mol
LogP2.68
Rot. Bonds8

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

N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride (PubChem CID 119569079) has the molecular formula C16H27ClN2O2 and a molecular weight of 314.86 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
PubChem CID119569079
Molecular FormulaC16H27ClN2O2
Molecular Weight314.86 g/mol
Exact Mass314.18
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride
SMILESCCc1ccccc1OCC(=O)NC(CC)(CC)CN.Cl
InChIInChI=1S/C16H26N2O2.ClH/c1-4-13-9-7-8-10-14(13)20-11-15(19)18-16(5-2,6-3)12-17;/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19);1H
InChIKeyRKMIIMOBSIKIPY-UHFFFAOYSA-N
XLogP2.68
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.86
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-2-methylpropan-2-yl)-2-(2-ethylphenoxy)acetamide;hydrochloride
CID 119521833
N-[3-(aminomethyl)pentan-3-yl]-2-(2-phenylmethoxyphenoxy)acetamide;hydrochloride
CID 119571605
N-[3-(aminomethyl)pentan-3-yl]-2-(2-butan-2-ylphenoxy)acetamide
CID 119571043
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-(2-chlorophenyl)acetamide;hydrochloride
CID 119571282
N-[3-(aminomethyl)pentan-3-yl]-2-(4-ethoxyphenoxy)acetamide
CID 119570439
N-[3-(aminomethyl)pentan-3-yl]-2-(4-bromophenoxy)acetamide
CID 119569073
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]-3-[2-(trifluoromethoxy)phenyl]propanamide
CID 119571159
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-ethylphenoxy)acetamide;hydrochloride?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride (CID 119569079) is N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride is CCc1ccccc1OCC(=O)NC(CC)(CC)CN.Cl.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride?
The InChIKey is RKMIIMOBSIKIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2.ClH/c1-4-13-9-7-8-10-14(13)20-11-15(19)18-16(5-2,6-3)12-17;/h7-10H,4-6,11-12,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride?
N-[3-(aminomethyl)pentan-3-yl]-2-(2-ethylphenoxy)acetamide;hydrochloride has a molecular weight of 314.86 g/mol, XLogP of 2.68, 8 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-(2-ethylphenoxy)acetamide;hydrochloride is sourced from PubChem (CID 119569079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).