2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride

C15H22Cl2N2O3 — CID 119720753

IUPAC2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cc(Cl)c2c(c1)OCCO2.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-3-9(2)13(17)15(19)18-8-10-6-11(16)14-12(7-10)20-4-5-21-14;/h6-7,9,13H,3-5,8,17H2,1-2H3,(H,18,19);1H
InChIKeyIUHZAKDUMJHRMI-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.52
Rot. Bonds5

About 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride

2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride (PubChem CID 119720753) has the molecular formula C15H22Cl2N2O3 and a molecular weight of 349.26 g/mol. Its IUPAC name is 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride
PubChem CID119720753
Molecular FormulaC15H22Cl2N2O3
Molecular Weight349.26 g/mol
Exact Mass348.10
IUPAC Name2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride
SMILESCCC(C)C(N)C(=O)NCc1cc(Cl)c2c(c1)OCCO2.Cl
InChIInChI=1S/C15H21ClN2O3.ClH/c1-3-9(2)13(17)15(19)18-8-10-6-11(16)14-12(7-10)20-4-5-21-14;/h6-7,9,13H,3-5,8,17H2,1-2H3,(H,18,19);1H
InChIKeyIUHZAKDUMJHRMI-UHFFFAOYSA-N
XLogP2.52
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;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

2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120985752
(2S)-2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3,3-dimethylbutanamide;hydrochloride
CID 119720739
(2S,3S)-2-(carbamoylamino)-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-3-methylpentanamide
CID 9405499
2-amino-N-[(3,4-dichlorophenyl)methyl]-3-methylpentanamide
CID 69170793
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(oxan-4-yl)acetamide
CID 120787188
N-[2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]ethyl]-2-methylpropanamide
CID 43217103
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]propanamide
CID 43402374
N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-(3-methylphenoxy)propanamide
CID 78867722
2-amino-N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120784627
2-amino-N-[(4-chlorophenyl)methyl]-3-methylpentanamide;hydrochloride
CID 119669753
2-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methylamino]-N-methylpropanamide
CID 61057618
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-2-methylpentanamide
CID 119720766

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride (CID 119720753) is 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride is CCC(C)C(N)C(=O)NCc1cc(Cl)c2c(c1)OCCO2.Cl.
What is the InChIKey of 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride?
The InChIKey is IUHZAKDUMJHRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN2O3.ClH/c1-3-9(2)13(17)15(19)18-8-10-6-11(16)14-12(7-10)20-4-5-21-14;/h6-7,9,13H,3-5,8,17H2,1-2H3,(H,18,19);1H.
What are the key properties of 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride?
2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride has a molecular weight of 349.26 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl]-3-methylpentanamide;hydrochloride is sourced from PubChem (CID 119720753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).