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

C15H24Cl2N2O2 — CID 119586798

IUPACN-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)Oc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)8-12(9-17)18-15(19)11(3)20-14-7-5-4-6-13(14)16;/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19);1H
InChIKeyHLIDHLSACMRUQL-UHFFFAOYSA-N
MW335.28 g/mol
LogP3.02
Rot. Bonds7

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

N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride (PubChem CID 119586798) 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-(2-chlorophenoxy)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
PubChem CID119586798
Molecular FormulaC15H24Cl2N2O2
Molecular Weight335.28 g/mol
Exact Mass334.12
IUPAC NameN-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride
SMILESCC(C)CC(CN)NC(=O)C(C)Oc1ccccc1Cl.Cl
InChIInChI=1S/C15H23ClN2O2.ClH/c1-10(2)8-12(9-17)18-15(19)11(3)20-14-7-5-4-6-13(14)16;/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19);1H
InChIKeyHLIDHLSACMRUQL-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

Analyze N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-amino-4-methylpentan-2-yl)-2-phenoxypropanamide
CID 119588476
(2R)-2-[2-(2-chlorophenoxy)propanoylamino]propanoic acid
CID 54990962
N-(1-amino-4-methylpentan-2-yl)-2-(3-chlorophenoxy)propanamide;hydrochloride
CID 119586806
N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)acetamide
CID 119587183
ethyl 2-[2-(2-chlorophenoxy)propanoylamino]propanoate
CID 47393625
N-(1-amino-4-methylpentan-2-yl)-4-(2-chlorophenoxy)butanamide;hydrochloride
CID 119588775
(2R)-2-(2-chlorophenoxy)-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]propanamide
CID 92674399
(2S)-2-(2-chlorophenoxy)-N-[(1R)-1-phenylethyl]propanamide
CID 42563640
N-(1-amino-4-methylpentan-2-yl)-2-chlorobenzamide;hydrochloride
CID 119588453
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
N-(1-amino-4-methylpentan-2-yl)-2-pyridin-3-yloxypropanamide;dihydrochloride
CID 119587934

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride?
The IUPAC name of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride (CID 119586798) is N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride.
What is the SMILES notation for N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride?
The canonical SMILES for N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride is CC(C)CC(CN)NC(=O)C(C)Oc1ccccc1Cl.Cl.
What is the InChIKey of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride?
The InChIKey is HLIDHLSACMRUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2.ClH/c1-10(2)8-12(9-17)18-15(19)11(3)20-14-7-5-4-6-13(14)16;/h4-7,10-12H,8-9,17H2,1-3H3,(H,18,19);1H.
What are the key properties of N-(1-amino-4-methylpentan-2-yl)-2-(2-chlorophenoxy)propanamide;hydrochloride?
N-(1-amino-4-methylpentan-2-yl)-2-(2-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-(2-chlorophenoxy)propanamide;hydrochloride is sourced from PubChem (CID 119586798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).