N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride

C15H23ClN2O2 — CID 120568872

IUPACN-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCC1CCCCO1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-6-12(16)10-14(11)17-15(18)8-7-13-4-2-3-9-19-13;/h5-6,10,13H,2-4,7-9,16H2,1H3,(H,17,18);1H
InChIKeyTWPMLSPWQCBDHA-UHFFFAOYSA-N
MW298.81 g/mol
LogP3.29
Rot. Bonds4

About N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride

N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride (PubChem CID 120568872) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
PubChem CID120568872
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC NameN-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride
SMILESCc1ccc(N)cc1NC(=O)CCC1CCCCO1.Cl
InChIInChI=1S/C15H22N2O2.ClH/c1-11-5-6-12(16)10-14(11)17-15(18)8-7-13-4-2-3-9-19-13;/h5-6,10,13H,2-4,7-9,16H2,1H3,(H,17,18);1H
InChIKeyTWPMLSPWQCBDHA-UHFFFAOYSA-N
XLogP3.29
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)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-(4-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63951302
N-(5-amino-2-methoxyphenyl)-3-(oxan-2-yl)propanamide
CID 63950896
N-(5-bromo-2-methylphenyl)-3-(oxan-2-yl)propanamide
CID 63940200
N-(5-amino-2-chlorophenyl)-3-(oxolan-2-yl)propanamide
CID 65157307
N-(4-amino-2-methoxyphenyl)-3-(oxolan-2-yl)propanamide
CID 65152231
N-(5-bromo-2-methylphenyl)-3-(oxolan-2-yl)propanamide
CID 60794150
3-amino-4-[3-(oxan-2-yl)propanoylamino]benzoic acid
CID 63952709
N-(2-amino-5-chlorophenyl)-3-(oxan-2-yl)propanamide
CID 63951699
3-amino-4-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 65157363
N-(4-amino-2-methylphenyl)-2-(oxolan-2-yl)acetamide
CID 65152082
N-(5-amino-2-methylphenyl)-3-[cyclopentyl(methyl)amino]propanamide
CID 43266810
N-(6-amino-1,3-benzodioxol-5-yl)-3-(oxan-2-yl)propanamide
CID 63953505

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride?
The IUPAC name of N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride (CID 120568872) is N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride is Cc1ccc(N)cc1NC(=O)CCC1CCCCO1.Cl.
What is the InChIKey of N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride?
The InChIKey is TWPMLSPWQCBDHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2.ClH/c1-11-5-6-12(16)10-14(11)17-15(18)8-7-13-4-2-3-9-19-13;/h5-6,10,13H,2-4,7-9,16H2,1H3,(H,17,18);1H.
What are the key properties of N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride?
N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride has a molecular weight of 298.81 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-methylphenyl)-3-(oxan-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 120568872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).