N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride

C15H24Cl2N2O2 — CID 119586806

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)7-13(9-17)18-15(19)11(3)20-14-6-4-5-12(16)8-14;/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,18,19);1H
InChIKeyAOUSRMAIUGACAE-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.02
Rot. Bonds7

About N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride

N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride (PubChem CID 119586806) has the molecular formula C15H24Cl2N2O2 and a molecular weight of 335.28 g/mol. Its IUPAC name is N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
PubChem CID119586806
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)Oc1cccc(Cl)c1.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)7-13(9-17)18-15(19)11(3)20-14-6-4-5-12(16)8-14;/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,18,19);1H
InChIKeyAOUSRMAIUGACAE-UHFFFAOYSA-N
XLogP3.02
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.28
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
N-[(2S)-1-aminopropan-2-yl]-2-(3-chlorophenoxy)propanamide
CID 120505567
(2S)-2-(3-chlorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]propanamide
CID 92679279
(2R)-2-(3-chlorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 92679276
(2S)-2-(3-chlorophenoxy)-N-pentan-3-ylpropanamide
CID 94087042
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119587934
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
CID 119586798
(2R)-2-(3-chlorophenoxy)-N-[2-[[(2R)-2-(3-chlorophenoxy)propanoyl]amino]ethyl]propanamide
CID 2165550
ethyl 2-[2-(3-chlorophenoxy)propanoylamino]propanoate
CID 47368061
(2S)-2-(3-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 94019584
N-(1-amino-1-sulfanylidenepropan-2-yl)-2-(3-chlorophenoxy)propanamide
CID 62227029
2-(3-chlorophenoxy)-N-(3-methylbutan-2-yl)propanamide
CID 78780294

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride (CID 119586806) is N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride is CC(C)CC(CN)NC(=O)C(C)Oc1cccc(Cl)c1.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride?
The InChIKey is AOUSRMAIUGACAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2.ClH/c1-10(2)7-13(9-17)18-15(19)11(3)20-14-6-4-5-12(16)8-14;/h4-6,8,10-11,13H,7,9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride has a molecular weight of 335.28 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119586806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).