N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride

C14H21Cl3N2O2 — CID 119584124

IUPACN-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCOc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-10(9-17)18(2)13(19)7-4-8-20-12-6-3-5-11(15)14(12)16;/h3,5-6,10H,4,7-9,17H2,1-2H3;1H
InChIKeyGYRQXYXLUMZWTL-UHFFFAOYSA-N
MW355.69 g/mol
LogP3.38
Rot. Bonds7

About N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride

N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride (PubChem CID 119584124) has the molecular formula C14H21Cl3N2O2 and a molecular weight of 355.69 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
PubChem CID119584124
Molecular FormulaC14H21Cl3N2O2
Molecular Weight355.69 g/mol
Exact Mass354.07
IUPAC NameN-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride
SMILESCC(CN)N(C)C(=O)CCCOc1cccc(Cl)c1Cl.Cl
InChIInChI=1S/C14H20Cl2N2O2.ClH/c1-10(9-17)18(2)13(19)7-4-8-20-12-6-3-5-11(15)14(12)16;/h3,5-6,10H,4,7-9,17H2,1-2H3;1H
InChIKeyGYRQXYXLUMZWTL-UHFFFAOYSA-N
XLogP3.38
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.69
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;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-aminopropan-2-yl)-4-(2-ethoxyphenoxy)-N-methylbutanamide
CID 119585067
N-(1-aminopropan-2-yl)-4-(2-bromophenoxy)-N-methylbutanamide
CID 119584005
N-(1-aminopropan-2-yl)-4-(2-fluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119584118
N-(1-aminopropan-2-yl)-4-(2,4-difluorophenoxy)-N-methylbutanamide;hydrochloride
CID 119581560
N-(1-aminopropan-2-yl)-2-(2-chlorophenoxy)-N-methylacetamide;hydrochloride
CID 119583328
N-(1-aminopropan-2-yl)-N-methyl-4-phenoxybutanamide
CID 119581308
N-(1-aminopropan-2-yl)-4-(4-fluorophenoxy)-N-methylbutanamide
CID 119582440
N-(1-aminopropan-2-yl)-2-(2,6-dichlorophenyl)-N-methylacetamide
CID 119584839
N-(1-aminopropan-2-yl)-N-methyl-3-(4-propan-2-ylphenoxy)propanamide;hydrochloride
CID 119582078
4-(2,3-dichlorophenoxy)-N-piperidin-4-yl-N-propylbutanamide;hydrochloride
CID 119825419
N-(1-aminopropan-2-yl)-3-(4-chloro-2-nitrophenoxy)-N-methylpropanamide
CID 119583214
4-(2,3-dichlorophenoxy)-N-[(2R)-2-(ethylamino)propyl]butanamide
CID 120653975

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride?
The IUPAC name of N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride (CID 119584124) is N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride.
What is the SMILES notation for N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride?
The canonical SMILES for N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride is CC(CN)N(C)C(=O)CCCOc1cccc(Cl)c1Cl.Cl.
What is the InChIKey of N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride?
The InChIKey is GYRQXYXLUMZWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O2.ClH/c1-10(9-17)18(2)13(19)7-4-8-20-12-6-3-5-11(15)14(12)16;/h3,5-6,10H,4,7-9,17H2,1-2H3;1H.
What are the key properties of N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride?
N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride has a molecular weight of 355.69 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-4-(2,3-dichlorophenoxy)-N-methylbutanamide;hydrochloride is sourced from PubChem (CID 119584124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).